Entrectinib (Synonyms: NMS-E628; RXDX-101)

Name: Entrectinib
Brand: MedChemExpress
SKU: HY-12678
Rating: 5.0 (23 reviews)

Cat. No.: HY-12678 Purity: 99.79%: FAQs
Data Sheet SDS COA Handling Instructions

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Entrectinib (NMS-E628) is an orally active, BBB-penetrated and centrally active inhibitor of TrkA/B/C, ROS1 and ALK, with IC₅₀ values of 1, 3, 5, 12 and 7 nM, respectively. Entrectinib induces apoptosis and cycle arrest in cancer cells, has antitumor activity, and attenuates bleomycin-induced lung fibrosis in mice.

For research use only. We do not sell to patients.

Entrectinib Chemical Structure

CAS No. : 1108743-60-7

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 81	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 81	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 66	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 99	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 209	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 363	In-stock	Estimated Time of Arrival: December 31
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Customer Review

Based on 23 publication(s) in Google Scholar

Other Forms of Entrectinib:

21 Publications Citing Use of MCE Entrectinib

: Entrectinib purchased from MedChemExpress. Usage Cited in: Cell Rep. 2020 Aug 4;32(5):107994. [Abstract]; Immunoblot analysis of protein expression or modification in lysates of IMPETPR-NTRK1 cells treated with 10 nM Entrectinib for 0-24 h. pTRKA remained completely inhibited at 18 and 24 h, indicating that Entrectinib is still effectively inhibiting its direct target.

: Entrectinib purchased from MedChemExpress. Usage Cited in: Mol Cancer Ther. 2017 Oct;16(10):2130-2143. [Abstract]; KM12 or CR20 cells are treated with increasing concentrations of Cabozantinib, Entrectinib or LOXO-101 for 3 hours. Cell lysates are immunoblotted to detect the indicated proteins.

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Biological Activity
Purity & Documentation
References
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Description

IC₅₀ & Target

IC50: 1 nM (TrkA), 3 nM (TrkB), 5 nM (TrkC), 12 nM (ROS1), 7 nM (ALK)^[2].

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	7.46 μM Compound: Entrectinib	Antiproliferative activity against EGFR-positive human A549 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay Antiproliferative activity against EGFR-positive human A549 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay	[PMID: 34534734]
BaF3	IC₅₀	0.003 μM Compound: 2; entrectinib	Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	0.003 μM Compound: 2; entrectinib	Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	0.003 μM Compound: 2; entrectinib	Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	0.005 μM Compound: 2; entrectinib	Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	0.028 μM Compound: 2; entrectinib	Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	0.067 μM Compound: 2; entrectinib	Inhibition of EML4-ALK L1196M mutant (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of EML4-ALK L1196M mutant (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	0.897 μM Compound: 2; entrectinib	Inhibition of EML4-ALK G1202R mutant (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay Inhibition of EML4-ALK G1202R mutant (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay	[PMID: 27003761]
BaF3	IC₅₀	2.104 μM Compound: 2; entrectinib	Cytotoxicity against mouse IL-3 dependent BA/F3 cells incubated for 72 hrs by cell titer-glo assay Cytotoxicity against mouse IL-3 dependent BA/F3 cells incubated for 72 hrs by cell titer-glo assay	[PMID: 27003761]
KARPAS-299	IC₅₀	0.031 μM Compound: 2; entrectinib	Antiproliferative activity against human KARPAS299 cells incubated for 72 hrs by cell titer-glo assay Antiproliferative activity against human KARPAS299 cells incubated for 72 hrs by cell titer-glo assay	[PMID: 27003761]
KARPAS-299	IC₅₀	0.076 μM Compound: Entrectinib	Antiproliferative activity against NPM-ALK addicted human KARPAS-299 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay Antiproliferative activity against NPM-ALK addicted human KARPAS-299 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay	[PMID: 34534734]
KARPAS-299	IC₅₀	31 nM Compound: 84	Antiproliferative activity against human KARPAS299 cells incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human KARPAS299 cells incubated for 48 hrs by sulforhodamine B assay	[PMID: 31077998]
KM12	IC₅₀	0.0017 μM Compound: 4-3; RXDX-101	Antiproliferative activity against human KM12 cells after 72 hrs Antiproliferative activity against human KM12 cells after 72 hrs	[PMID: 30188734]
KM12	IC₅₀	0.012 μM Compound: Entrectinib	Cytotoxicity against human KM12 cells assessed as reduction in cell viability incubated for 72 hrs by resazurin based assay Cytotoxicity against human KM12 cells assessed as reduction in cell viability incubated for 72 hrs by resazurin based assay	[PMID: 33652352]
KM12	IC₅₀	0.017 μM Compound: 2; entrectinib	Antiproliferative activity against human KM12 cells expressing TRKA protein incubated for 72 hrs by cell titer-glo assay Antiproliferative activity against human KM12 cells expressing TRKA protein incubated for 72 hrs by cell titer-glo assay	[PMID: 27003761]
KM12	IC₅₀	0.057 μM Compound: Entrectinib	Antiproliferative activity against TPM3-NTRK1-addicted human KM12 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay Antiproliferative activity against TPM3-NTRK1-addicted human KM12 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay	[PMID: 34534734]
KM12	IC₅₀	17 nM Compound: 84	Antiproliferative activity against human KM12 cells incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human KM12 cells incubated for 48 hrs by sulforhodamine B assay	[PMID: 31077998]
KM12	IC₅₀	4.3 nM Compound: Entrectinib	Antiproliferative activity against human KM12 cells expressing TPM3-TRKA assessed as reduction in cell viability measured after 3 days by Celltiter-Glo assay Antiproliferative activity against human KM12 cells expressing TPM3-TRKA assessed as reduction in cell viability measured after 3 days by Celltiter-Glo assay	[PMID: 32550985]
MV4-11	IC₅₀	0.081 μM Compound: 2; entrectinib	Antiproliferative activity against human MV411 cells incubated for 72 hrs by cell titer-glo assay Antiproliferative activity against human MV411 cells incubated for 72 hrs by cell titer-glo assay	[PMID: 27003761]
MV4-11	IC₅₀	81 nM Compound: 84	Antiproliferative activity against human MV4-11 cells incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human MV4-11 cells incubated for 48 hrs by sulforhodamine B assay	[PMID: 31077998]
NCI-H2228	IC₅₀	0.068 μM Compound: 2; entrectinib	Antiproliferative activity against human NCI-H2228 cells expressing ALK protein incubated for 72 hrs by cell titer-glo assay Antiproliferative activity against human NCI-H2228 cells expressing ALK protein incubated for 72 hrs by cell titer-glo assay	[PMID: 27003761]
NCI-H2228	IC₅₀	0.254 μM Compound: Entrectinib	Antiproliferative activity against EML4-ALK addicted human H2228 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay Antiproliferative activity against EML4-ALK addicted human H2228 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay	[PMID: 34534734]
NCI-H2228	IC₅₀	68 nM Compound: 84	Antiproliferative activity against human NCI-H2228 cells incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human NCI-H2228 cells incubated for 48 hrs by sulforhodamine B assay	[PMID: 31077998]
SH-SY5Y	IC₅₀	1.6 μM Compound: Entrectinib	Anticancer activity against human SH-SY5Y cells assessed as reduction in cell viability incubated for 48 hrs by resazurin dye based fluorescence assay Anticancer activity against human SH-SY5Y cells assessed as reduction in cell viability incubated for 48 hrs by resazurin dye based fluorescence assay	[PMID: 36208544]
SK-N-AS	IC₅₀	4.47 μM Compound: Entrectinib	Anticancer activity against human SK-N-AS cells assessed as reduction in cell viability incubated for 48 hrs by resazurin dye based fluorescence assay Anticancer activity against human SK-N-AS cells assessed as reduction in cell viability incubated for 48 hrs by resazurin dye based fluorescence assay	[PMID: 36208544]
SU-DHL-1	IC₅₀	0.024 μM Compound: 2; entrectinib	Antiproliferative activity against human SU-DHL1 cells expressing ALK protein incubated for 72 hrs by cell titer-glo assay Antiproliferative activity against human SU-DHL1 cells expressing ALK protein incubated for 72 hrs by cell titer-glo assay	[PMID: 27003761]
SU-DHL-1	IC₅₀	20 nM Compound: 84	Antiproliferative activity against human SU-DHL1 cells incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human SU-DHL1 cells incubated for 48 hrs by sulforhodamine B assay	[PMID: 31077998]

In Vitro

Entrectinib (100, 200, 400 nM; 24 h) alleviates TGF-β1-induced activation of mouse lung fibroblasts^[1].
Entrectinib(100, 200, 400 nM; 24 h) inhibits TGF-β1-induced epithelial to mesenchymal transition of mouse lung epithelial cells^[1].
Entrectinib (10, 50, 250 nM; 2 h) abolishes autophosphorylation of TPM3-TRKA, concomitant with complete inhibition of the phosphorylation of PLCg1, AKT, and MAPK in KM12 cells^[2].
Entrectinib (10, 50, 250 nM; 24, 48 h) induce KM12 cells cycle arrest (24 h) and apoptosis (48 h)^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Western Blot Analysis^[1]

Cell Line:	Mouse lung fibroblasts cells
Concentration:	100, 200, 400 nM
Incubation Time:	24 h
Result:	Reduced the protein expression levels of α-SMA, collagen I and fibronectin in the TGF-β1-treated fibroblasts.

Western Blot Analysis^[1]

Cell Line:	Mouse lung epithelial cells
Concentration:	100, 200, 400 nM
Incubation Time:	24 h
Result:	Significantly increased the expression of the epithelial marker Ecadherin and decreased the expression of the mesenchymal markers N-cadherin and Vimentin.

Apoptosis Analysis^[2]

Cell Line:	KM12 cells
Concentration:	10, 50, 250 nM
Incubation Time:	24, 48 h
Result:	Induced accumulation of cells in the G1 phase of the cell cycle at 24 hours treatment, followed by apoptosis induction at 48 hours.

In Vivo

Entrectinib (20, 40, 60 mg/kg; i.g.; single daily for 7 days) attenuates bleomycin-induced pulmonary fibrosis in mice^[1].
Entrectinib (30, 60 mg/kg; p.o.; twice daily for 10 consecutive days) induces regression of xenograft tumors in tumor-bearing mice, including TRKA-dependent colorectal cancer KM12, ROS1-driven tumors, and several ALK-dependent models of different tissue origins, including brain-localized lung model cancer metastasis^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Male C57BL/6 mice (6-8 weeks old, 20-25 g; Bleomycin-induced pulmonary fibrosis model)^[1].
Dosage:	20, 40, 60 mg/kg
Administration:	Intragastric Administration; single daily for 7 days.
Result:	Significantly improved lung function in the pulmonary fibrosis model mice.

Clinical Trial

Molecular Weight

560.64

Formula

C₃₁H₃₄F₂N₆O₂

CAS No.

1108743-60-7

Appearance

Solid

Color

Off-white to light yellow

SMILES

O=C(NC1=NNC2=C1C=C(CC3=CC(F)=CC(F)=C3)C=C2)C4=C(NC5CCOCC5)C=C(N6CCN(C)CC6)C=C4

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : ≥ 31 mg/mL (55.29 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.7837 mL	8.9184 mL	17.8368 mL
5 mM	0.3567 mL	1.7837 mL	3.5674 mL
10 mM	0.1784 mL	0.8918 mL	1.7837 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 5% DMSO 40% PEG300 5% Tween-80 50% Saline
Solubility: ≥ 2.5 mg/mL (4.46 mM); Clear solution
Protocol 2

Add each solvent one by one: 5% DMSO 95% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (4.46 mM); Clear solution
Protocol 3

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (3.71 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 4

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: 2.08 mg/mL (3.71 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.08 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 5

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (3.71 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

For the following dissolution methods, please prepare the working solution directly. It is recommended to prepare fresh solutions and use them promptly within a short period of time.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 0.5% Methyl cellulose/0.5% Tween-80 in Saline water
Solubility: 5 mg/mL (8.92 mM); Suspended solution; Need ultrasonic

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

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Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.79%

Select Batch:

Data Sheet (282 KB) SDS (393 KB)

COA (252 KB) HNMR (281 KB) LCMS (94 KB) Elemental Analysis Report (110 KB)

Handling Instructions (2659 KB)

References

[1]. Miao Y, et al. Entrectinib ameliorates bleomycin-induced pulmonary fibrosis in mice by inhibiting TGF-β1 signaling pathway. Int Immunopharmacol. 2022 Dec;113(Pt B):109427. [Content Brief]

[2]. Ardini E, et al. Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. [Content Brief]

[3]. Iyer R, et al. Entrectinib is a potent inhibitor of Trk-driven neuroblastomas in a xenograft mouse model. Cancer Lett. 2016 Mar 28;372(2):179-86. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.7837 mL	8.9184 mL	17.8368 mL	44.5919 mL
	5 mM	0.3567 mL	1.7837 mL	3.5674 mL	8.9184 mL
	10 mM	0.1784 mL	0.8918 mL	1.7837 mL	4.4592 mL
	15 mM	0.1189 mL	0.5946 mL	1.1891 mL	2.9728 mL
	20 mM	0.0892 mL	0.4459 mL	0.8918 mL	2.2296 mL
	25 mM	0.0713 mL	0.3567 mL	0.7135 mL	1.7837 mL
	30 mM	0.0595 mL	0.2973 mL	0.5946 mL	1.4864 mL
	40 mM	0.0446 mL	0.2230 mL	0.4459 mL	1.1148 mL
	50 mM	0.0357 mL	0.1784 mL	0.3567 mL	0.8918 mL

Entrectinib Related Classifications

Help & FAQs

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Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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Entrectinib (Synonyms: NMS-E628; RXDX-101)

Customer Review

Other Forms of Entrectinib:

21 Publications Citing Use of MCE Entrectinib

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All Trk Receptor Isoform Specific Products:

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Purity & Documentation

References

Customer Review

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Complete Stock Solution Preparation Table

Entrectinib Related Classifications

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Entrectinib (Synonyms: NMS-E628; RXDX-101)

Customer Review

Other Forms of Entrectinib:

Entrectinib Related Antibodies

21 Publications Citing Use of MCE Entrectinib

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All Trk Receptor Isoform Specific Products:

Biological Activity

Purity & Documentation

References

Customer Review

Entrectinib Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

Entrectinib Related Classifications

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Your Recently Viewed Products:

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