Ocifisertib fumarate (Synonyms: CFI-400945 fumarate)

Name: Ocifisertib fumarate
Brand: MedChemExpress
SKU: HY-12300B
Rating: 5.0 (4 reviews)

Cat. No.: HY-12300B Purity: 99.44%: FAQs
Data Sheet SDS COA Handling Instructions

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CFI-400945 fumarate is a potent, selective and orally bioavailable PLK4 inhibitor with a K_i and an IC₅₀ of 0.26 nM and 2.8 nM, respectively.

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

Ocifisertib fumarate Chemical Structure

CAS No. : 1616420-30-4

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Other Forms of Ocifisertib fumarate:

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4 Publications Citing Use of MCE Ocifisertib fumarate

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PLK1 PLK2 PLK3 PLK4

Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

CFI-400945 fumarate is a potent, selective and orally bioavailable PLK4 inhibitor with a K_i and an IC₅₀ of 0.26 nM and 2.8 nM, respectively.

IC₅₀ & Target^[1]

PLK4

2.8 nM (IC₅₀)

AURKA

140 nM (IC₅₀)

AURKB/INCENP

98 nM (IC₅₀)

TIE2/TEK

22 nM (IC₅₀)

TRKA

6 nM (IC₅₀)

TRKB

9 nM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
A549	GI₅₀	0.005 μM Compound: 48	Growth inhibition of human A549 cells after 5 days by SRB assay Growth inhibition of human A549 cells after 5 days by SRB assay	[PMID: 24867403]
BT-20	GI₅₀	0.058 μM Compound: 48	Growth inhibition of human BT20 cells after 5 days by SRB assay Growth inhibition of human BT20 cells after 5 days by SRB assay	[PMID: 24867403]
CAL-51	GI₅₀	0.26 μM Compound: 48	Growth inhibition of human CAL51 cells after 5 days by SRB assay Growth inhibition of human CAL51 cells after 5 days by SRB assay	[PMID: 24867403]
COLO 205	GI₅₀	0.017 μM Compound: 48	Growth inhibition of human COLO205 cells after 5 days by SRB assay Growth inhibition of human COLO205 cells after 5 days by SRB assay	[PMID: 24867403]
HCC1954	GI₅₀	0.005 μM Compound: 48	Growth inhibition of human HCC1954 cells after 5 days by SRB assay Growth inhibition of human HCC1954 cells after 5 days by SRB assay	[PMID: 24867403]
HCT-116	GI₅₀	0.004 μM Compound: 48	Growth inhibition of human HCT116 cells after 5 days by SRB assay Growth inhibition of human HCT116 cells after 5 days by SRB assay	[PMID: 24867403]
HMEC	GI₅₀	9 μM Compound: 48	Growth inhibition of human HMEC cells after 5 days by SRB assay Growth inhibition of human HMEC cells after 5 days by SRB assay	[PMID: 24867403]
MCF7	GI₅₀	0.008 μM Compound: 48	Growth inhibition of human MCF7 cells after 5 days by SRB assay Growth inhibition of human MCF7 cells after 5 days by SRB assay	[PMID: 24867403]
MDA-MB-231	GI₅₀	8.6 μM Compound: 48	Growth inhibition of human MDA-MB-231 cells after 5 days by SRB assay Growth inhibition of human MDA-MB-231 cells after 5 days by SRB assay	[PMID: 24867403]
MDA-MB-468	GI₅₀	0.006 μM Compound: 48	Growth inhibition of human MDA-MB-468 cells after 5 days by SRB assay Growth inhibition of human MDA-MB-468 cells after 5 days by SRB assay	[PMID: 24867403]
OVCAR-3	GI₅₀	0.018 μM Compound: 48	Growth inhibition of human OVCAR3 cells after 5 days by SRB assay Growth inhibition of human OVCAR3 cells after 5 days by SRB assay	[PMID: 24867403]
SK-BR-3	GI₅₀	5.3 μM Compound: 48	Growth inhibition of human SKBR3 cells after 5 days by SRB assay Growth inhibition of human SKBR3 cells after 5 days by SRB assay	[PMID: 24867403]
SW-620	GI₅₀	0.38 μM Compound: 48	Growth inhibition of human SW620 cells after 5 days by SRB assay Growth inhibition of human SW620 cells after 5 days by SRB assay	[PMID: 24867403]

In Vitro

CFI-400945 (compound 48) shows potent inhibitory activities against a panel of kinases, including PLK4, TRKA, TRKB, AURKA, AURKB/INCENP, and TIE2/TEK, with IC₅₀s of 2.8, 6, 9, 140, 98, 22 nM, and EC₅₀s of 12, 84, 88, 510, 102, 117 nM, respectively. CFI-400945 exhibits growth inhibition effects on breast, lung, ovarian and colon cancer cells. The IC₅₀s (in μM) are as follows: SKBr-3 (5.3), Cal-51 (0.26), BT-20 (0.058), A549 (0.005), OVCAR-3 (0.018), SW620 (0.38), Colo-205 (0.017), and HCT116+/+ (0.004) ^[1]. CFI-400945 inhibits autophosphorylation of PLK4 at serine 305 with an EC₅₀ value of 12.3 nM in cells overexpressing PLK4. Cancer cells treated with CFI-400945 exhibit effects consistent with PLK4 kinase inhibition, including dysregulated centriole duplication, mitotic defects, and cell death^[2].

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

In Vivo

Oral administration of CFI-400945 (3.0, 9.4 mg/kg) to mice bearing human cancer xenografts results in the significant inhibition of tumor growth at doses that are well tolerated. Increased antitumor activity is observed in PTEN-deficient compared to PTEN wild-type cancer xenografts. The maximum tolerated dose for once-daily administration of CFI-400945 is estimated to be 7.5-9.5 mg/kg^[2].

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

Molecular Weight

650.72

Formula

C₃₇H₃₈N₄O₇

CAS No.

1616420-30-4

Appearance

Solid

Color

White to yellow

SMILES

OC(/C=C/C(O)=O)=O.O=C1[C@@]2(C3=CC(OC)=CC=C3N1)[C@H](C4=CC=C(C(/C=C/C5=CC=C(C=C5)CN6C[C@H](O[C@H](C6)C)C)=NN7)C7=C4)C2

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:

DMSO : 50 mg/mL (76.84 mM; Need ultrasonic; 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	1.5368 mL	7.6838 mL	15.3676 mL
5 mM	0.3074 mL	1.5368 mL	3.0735 mL
10 mM	0.1537 mL	0.7684 mL	1.5368 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.

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: ≥ 2.5 mg/mL (3.84 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (3.84 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: 2.5 mg/mL (3.84 mM); Clear solution; Need warming

This protocol yields a clear solution of 2.5 mg/mL. 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 (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

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.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

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).

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

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: 99.44%

Select Batch:

Data Sheet (278 KB) SDS (251 KB)

COA (260 KB) LCMS (271 KB)

Handling Instructions (2659 KB)

References

[1]. Sampson PB, et al. The discovery of Polo-like kinase 4 inhibitors: identification of (1R,2S).2-(3-((E).4-(((cis).2,6-dimethylmorpholino)methyl)styryl). 1H.indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one (CFI-400945) as a potent, orally active antitumor agent. J Med Chem. 2015 Jan 8;58(1):147-69. [Content Brief]

[2]. Mason JM, et al. Functional characterization of CFI-400945, a Polo-like kinase 4 inhibitor, as a potential anticancer agent. Cancer Cell. 2014 Aug 11;26(2):163-76. [Content Brief]

Kinase Assay ^[1]	Active PLK4 is purified and used to measure PLK4 activity, using an indirect ELISA detection system. PLK1, PLK2, PLK3, AURKA, and AUKB/INCENP compound inhibition are determined using FRET-based homogeneous assay kits from Invitrogen. The assays are performed with ATP concentrations of 25, 60, and 80 μM, respectively, for PLK1, PLK2, and PLK3 and ATP concentrations of 20 and 128 μM, respectively, for AURKA and AURKB/INCENP^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Cell Assay ^[2]	MDA-MB-468, MCF-7, HCC1954, MDA-MB-231, SKBr-3, Cal-51, and BT-20 breast cancer cells are treated with 10 nM to 50 μM CFI-400945 for 5 days. Cell viability is measured using SRB assay^[2]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[2]	Mice: To treat an established tumor, CFI-400945 and the vehicle (water) are administered by oral gavage (2.5-20 mg/kg), and 5-FU and carboplatin are administered by intraperitoneal injection to mice as described in the text. Animal weights are monitored daily, and tumor volume is measured three times per week^[2]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Sampson PB, et al. The discovery of Polo-like kinase 4 inhibitors: identification of (1R,2S).2-(3-((E).4-(((cis).2,6-dimethylmorpholino)methyl)styryl). 1H.indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one (CFI-400945) as a potent, orally active antitumor agent. J Med Chem. 2015 Jan 8;58(1):147-69. [Content Brief] [2]. Mason JM, et al. Functional characterization of CFI-400945, a Polo-like kinase 4 inhibitor, as a potential anticancer agent. Cancer Cell. 2014 Aug 11;26(2):163-76. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.5368 mL	7.6838 mL	15.3676 mL	38.4190 mL
	5 mM	0.3074 mL	1.5368 mL	3.0735 mL	7.6838 mL
	10 mM	0.1537 mL	0.7684 mL	1.5368 mL	3.8419 mL
	15 mM	0.1025 mL	0.5123 mL	1.0245 mL	2.5613 mL
	20 mM	0.0768 mL	0.3842 mL	0.7684 mL	1.9209 mL
	25 mM	0.0615 mL	0.3074 mL	0.6147 mL	1.5368 mL
	30 mM	0.0512 mL	0.2561 mL	0.5123 mL	1.2806 mL
	40 mM	0.0384 mL	0.1921 mL	0.3842 mL	0.9605 mL
	50 mM	0.0307 mL	0.1537 mL	0.3074 mL	0.7684 mL
	60 mM	0.0256 mL	0.1281 mL	0.2561 mL	0.6403 mL

Ocifisertib fumarate Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
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.

Keywords:

Ocifisertib1616420-30-4CFI-400945CFI400945CFI 400945Polo-like Kinase (PLK)Inhibitorinhibitorinhibit

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Ocifisertib fumarate (Synonyms: CFI-400945 fumarate)

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Other Forms of Ocifisertib fumarate:

Ocifisertib fumarate Related Antibodies

4 Publications Citing Use of MCE Ocifisertib fumarate

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•Related Small Molecules:

•Related Proteins:

View All Polo-like Kinase (PLK) Isoform Specific Products:

Biological Activity

Protocol

Purity & Documentation

References

Customer Review

Ocifisertib fumarate Related Antibodies

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Complete Stock Solution Preparation Table

Ocifisertib fumarate Related Classifications

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