CRT0066101 dihydrochloride

Name: CRT0066101 dihydrochloride
Brand: MedChemExpress
SKU: HY-15698A
Rating: 5.0 (2 reviews)

Cat. No.: HY-15698A Purity: 99.92%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

CRT0066101 dihydrochloride is a potent and orally active PKD inhibitor with IC₅₀ values of 1 nM, 2.5 nM and 2 nM for PKD1, PKD2, and PKD3, respectively. CRT0066101 dihydrochloride is also a potent PIM2 inhibitor with an IC₅₀ of ~135.7 nM. CRT0066101 dihydrochloride exhibits anti-inflammatory activity in mice LPS (HY-D1056)-induced lung injury models, and has anticancer effects.

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

CRT0066101 dihydrochloride Chemical Structure

CAS No. : 1883545-60-5

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 99	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 99	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 90	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 150	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 300	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 480	In-stock	Estimated Time of Arrival: December 31
100 mg		Get quote
200 mg		Get quote

or Bulk Inquiry

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 2 publication(s) in Google Scholar

Other Forms of CRT0066101 dihydrochloride:

CRT0066101 Get quote
CRT0066101 trihydrochloride Get quote

2 Publications Citing Use of MCE CRT0066101 dihydrochloride

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All PKD Isoform Specific Products:

View All Isoforms

PKD1 PKD2 PKD3

View All Pim Isoform Specific Products:

View All Isoforms

PIM1 PIM2 PIM3

Biological Activity
Purity & Documentation
References
Customer Review

Description

CRT0066101 dihydrochloride is a potent and orally active PKD inhibitor with IC₅₀ values of 1 nM, 2.5 nM and 2 nM for PKD1, PKD2, and PKD3, respectively^[1]. CRT0066101 dihydrochloride is also a potent PIM2 inhibitor with an IC₅₀ of ~135.7 nM. CRT0066101 dihydrochloride exhibits anti-inflammatory activity in mice LPS (HY-D1056)-induced lung injury models, and has anticancer effects^[1]^[2]^[3].

IC₅₀ & Target^[1]^[2]

PKD1

1 nM (IC₅₀)

PKD3

2 nM (IC₅₀)

PKD2

2.5 nM (IC₅₀)

PIM2

135.7 nM (IC₅₀)

In Vitro

CRT0066101 (5 µM; 1 h) dihydrochloride blockS both the basal and NT-induced pS916-PKD1/2 (activated PKD1/2) in Panc-1 and Panc-28 cells. CRT0066101 dihydrochloride abrogates NT-induced phosphorylation of Hsp27 (pS82-Hsp27), attenuates PKD1-mediated NF-κB activation, and abrogates expression of NF-κB-dependent-dependent proliferative and pro-survival proteins^[1].
CRT0066101 dihydrochloride significantly inhibits Panc-1 cell proliferation, with an IC₅₀ value of 1 µM. CRT0066101 dihydrochloride results in a 6-10 fold induction of apoptosis in Panc-1 cells. CRT0066101 dihydrochloride significantly reduces cell proliferation of Colo357, Panc-1, MiaPaCa-2, and AsPC-1 cells but had a modest effect in Capan-2 cells^[1].

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

Western Blot Analysis^[1]

Cell Line:	Panc-1 and Panc-28 cells stimulation with neurotensin (NT)
Concentration:	5 µM
Incubation Time:	1 h
Result:	Blocked both the basal and NT-induced pS916-PKD1/2 (activated PKD1/2).

In Vivo

CRT0066101 dihydrochloride (80 mg/kg/day; oral gavage; once daily; for 21 days) dihydrochloride in Panc-1 orthotopic model potently blocks tumor growth in vivo^[1].
CRT0066101 dihydrochloride (10 mg/kg, i.p., every two days for 3 times) exhibits a protective effect against LPS-induced pneumonia and alleviates lung damage in C57BL/6J mice^[3].

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

Animal Model:	CR-UK nu/nu mice injected with Panc-1 cells^[1]
Dosage:	80 mg/kg/day
Administration:	Oral gavage; once daily; for 21 days
Result:	Potently blocked tumor growth in vivo.

Animal Model:	LPS (HY-D1056)-induced lung injury in C57BL/6J mice^[3]
Dosage:	10 mg/kg
Administration:	i.p., once every two days for 3 times
Result:	Inhibited the expression of MyD88 and TLR4, inhibited the phosphorylation of NF-κB, ERK and JNK.

Molecular Weight

411.33

Formula

C₁₈H₂₄Cl₂N₆O

CAS No.

1883545-60-5

Appearance

Solid

Color

Off-white to light yellow

SMILES

OC1=CC=C(C2=CN(C)N=C2)C=C1C3=NC=CC(NC[C@H](N)CC)=N3.[H]Cl.[H]Cl

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

H₂O : 50 mg/mL (121.56 mM; Need ultrasonic)

DMSO : 11.36 mg/mL (27.62 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.4311 mL	12.1557 mL	24.3114 mL
5 mM	0.4862 mL	2.4311 mL	4.8623 mL
10 mM	0.2431 mL	1.2156 mL	2.4311 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, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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

Concentration _(start)

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: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.14 mg/mL (2.77 mM); Clear solution

This protocol yields a clear solution of ≥ 1.14 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (11.4 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 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 1.14 mg/mL (2.77 mM); Clear solution

This protocol yields a clear solution of ≥ 1.14 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (11.4 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 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 1.14 mg/mL (2.77 mM); Clear solution

This protocol yields a clear solution of ≥ 1.14 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 (11.4 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: PBS
Solubility: 25 mg/mL (60.78 mM); Clear solution; Need ultrasonic

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

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).

Purity & Documentation

Purity: 99.92%

Select Batch:

Data Sheet (278 KB) SDS (393 KB)

COA (247 KB) HNMR (294 KB) LCMS (94 KB) Elemental Analysis Report (106 KB)

Handling Instructions (2659 KB)

References

[1]. Harikumar KB, et al. A novel small-molecule inhibitor of protein kinase D blocks pancreatic cancer growth in vitro and in vivo. Mol Cancer Ther. 2010 May;9(5):1136-46. [Content Brief]

[2]. Xi Chen, et al. Identification and assessment of new PIM2 inhibitors for treating hematologic cancers: A combined approach of energy-based virtual screening and machine learning evaluation. Arch Pharm (Weinheim). 2024 Jan 23:e2300516. [Content Brief]

[3]. Cui B, et al., Small molecule inhibitor CRT0066101 inhibits cytokine storm syndrome in a mouse model of lung injury. Int Immunopharmacol. 2023 Jul;120:110240. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO / H₂O	1 mM	2.4311 mL	12.1557 mL	24.3114 mL	60.7785 mL
	5 mM	0.4862 mL	2.4311 mL	4.8623 mL	12.1557 mL
	10 mM	0.2431 mL	1.2156 mL	2.4311 mL	6.0778 mL
	15 mM	0.1621 mL	0.8104 mL	1.6208 mL	4.0519 mL
	20 mM	0.1216 mL	0.6078 mL	1.2156 mL	3.0389 mL
	25 mM	0.0972 mL	0.4862 mL	0.9725 mL	2.4311 mL
H₂O	30 mM	0.0810 mL	0.4052 mL	0.8104 mL	2.0259 mL
	40 mM	0.0608 mL	0.3039 mL	0.6078 mL	1.5195 mL
	50 mM	0.0486 mL	0.2431 mL	0.4862 mL	1.2156 mL
	60 mM	0.0405 mL	0.2026 mL	0.4052 mL	1.0130 mL
	80 mM	0.0304 mL	0.1519 mL	0.3039 mL	0.7597 mL
	100 mM	0.0243 mL	0.1216 mL	0.2431 mL	0.6078 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.