ICEC0942 free base

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MedKoo CAT#: 407958

CAS#: 1805833-75-3 (free base)

Description: ICEC0942, also known as PPDA-001 and CT7001, is a potent, orally active and selective CDK7 inhbitior. It selectively inhibits CDK7, with an IC50 of 40 nmol/L; IC50 values for CDK1, CDK2, CDK5, and CDK9 were 45-, 15-, 230-, and 30-fold higher. In vitro studies show that a wide range of cancer types are sensitive to CDK7 inhibition with GI50 values ranging between 0.2 and 0.3 μmol/L. In xenografts of both breast and colorectal cancers, the drug has substantial antitumor effects. In addition, combination therapy with tamoxifen showed complete growth arrest of ER-positive tumor xenografts. ICEC0942 may also be effective in other cancers that display characteristics of transcription factor addiction, such as acute leukaemia and small-cell lung cancer.


Chemical Structure

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ICEC0942 free base
CAS# 1805833-75-3 (free base)

Theoretical Analysis

MedKoo Cat#: 407958
Name: ICEC0942 free base
CAS#: 1805833-75-3 (free base)
Chemical Formula: C22H30N6O
Exact Mass: 394.2481
Molecular Weight: 394.523
Elemental Analysis: C, 66.98; H, 7.66; N, 21.30; O, 4.06

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1805833-75-3 (free base)   1805789-54-1 (HCl)    

Synonym: PPDA-001; PPDA-001; PPDA-001; GTPL9903; GTPL-9903; GTPL 9903; ICEC0942; ICEC-0942; ICEC 0942; CT7001; CT-7001; CT 7001;

IUPAC/Chemical Name: (3~{R},4~{R})-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

InChi Key: YCVGLKWJKIKVBI-MJGOQNOKSA-N

InChi Code: InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1

SMILES Code: O[C@H]1CNCC[C@@H]1CNC2=NC3=C(C(C)C)C=NN3C(NCC4=CC=CC=C4)=C2

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 394.523 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Patel H, Periyasamy M, Sava GP, Bondke A, Slafer BW, Kroll SHB, Barbazanges M,
Starkey R, Ottaviani S, Harrod A, Aboagye EO, Buluwela L, Fuchter MJ, Barrett
AGM, Coombes RC, Ali S. ICEC0942, an Orally Bioavailable Selective Inhibitor of
CDK7 for Cancer Treatment. Mol Cancer Ther. 2018 Jun;17(6):1156-1166. doi:
10.1158/1535-7163.MCT-16-0847. Epub 2018 Mar 15. PubMed PMID: 29545334; PubMed
Central PMCID: PMC5985928.

2: Hazel P, Kroll SH, Bondke A, Barbazanges M, Patel H, Fuchter MJ, Coombes RC,
Ali S, Barrett AG, Freemont PS. Inhibitor Selectivity for Cyclin-Dependent
Kinase 7: A Structural, Thermodynamic, and Modelling Study. ChemMedChem. 2017 Mar
7;12(5):372-380. doi: 10.1002/cmdc.201600535. Epub 2017 Feb 6. Erratum in:
ChemMedChem. 2018 Jan 22;13(2):207. PubMed PMID: 28125165.