ICEC0942 HCl
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MedKoo CAT#: 206865

CAS#: 1805789-54-1 (HCl)

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 HCl
CAS# 1805789-54-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 206865
Name: ICEC0942 HCl
CAS#: 1805789-54-1 (HCl)
Chemical Formula: C22H31ClN6O
Exact Mass: 430.22
Molecular Weight: 430.981
Elemental Analysis: C, 61.31; H, 7.25; Cl, 8.23; N, 19.50; O, 3.71

Price and Availability

Size Price Availability Quantity
5mg USD 550 2 Weeks
10mg USD 900 2 Weeks
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Related CAS #: 1805789-54-1 (HCl)   1805833-75-3 (free base)    

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: (3R,4R)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol hydrochloride

InChi Key: YMNPLAHCOLEZJE-ZFNKBKEPSA-N

InChi Code: InChI=1S/C22H30N6O.ClH/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);1H/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.[H]Cl

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: >2 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

More Info: Recent reports indicate that some cancer types are especially sensitive to transcription inhibition, suggesting that targeting the transcriptional machinery provides new approaches to cancer treatment. Cyclin-dependent kinase (CDK)7 is necessary for transcription, and acts by phosphorylating the C-terminal domain (CTD) of RNA polymerase II (PolII) to enable transcription initiation. CDK7 additionally regulates the activities of a number of transcription factors, including Estrogen receptor-α (ER). In xenografts of both breast and colorectal cancers, the drug has substantial anti-tumor effects. Additionally, combination therapy with tamoxifen showed complete growth arrest of ER-positive tumor xenografts. Our findings reveal that CDK7 inhibition provides a new approach, especially for ER-positive breast cancer and identify ICEC0942 as a prototype drug with potential utility as a single agent or in combination with hormone therapies for breast cancer. ICEC0942 may also be effective in other cancers that display characteristics of transcription factor addiction, such as acute leukaemia, and small-cell lung cancer.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 430.98 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.


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.

3. http://mct.aacrjournals.org/content/early/2018/03/15/1535-7163.MCT-16-0847