PF-477736 HCl

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 202227

CAS#: 1247874-19-6 (2HCl)

Description: PF-00477736, also known as PF-477736, is a potent CHK1 inhibitor with potential chemopotentiation activity. PF-477736 inhibits chk1, an ATP-dependent serine-threonine kinase that is a key component in the DNA replication-monitoring S/G2 checkpoint system. By overriding the last checkpoint defense against DNA damaging agent-induced lethal damage, chk1 inhibitor PF-477736 may potentiate the antitumor efficacy of various chemotherapeutic agents against tumor cells with intrinsic checkpoint defects.

Chemical Structure

PF-477736 HCl
CAS# 1247874-19-6 (2HCl)

Theoretical Analysis

MedKoo Cat#: 202227
Name: PF-477736 HCl
CAS#: 1247874-19-6 (2HCl)
Chemical Formula: C22H27Cl2N7O2
Exact Mass:
Molecular Weight: 492.4
Elemental Analysis: C, 53.66; H, 5.53; Cl, 14.40; N, 19.91; O, 6.50

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 or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1175132-90-7 (HCl)   1071848-28-6   952238-93-6 (?HCl)   1247874-19-6 (2HCl)   952021-60-2 (free base)    

Synonym: PF-00477736; PF 00477736; PF00477736; PF-477736; PF 477736; PF477736; PF-477736 HCl; PF-477736-2HCl; PF-477736 hydrochloride; PF-477736 dihydrochloride;

IUPAC/Chemical Name: (R)-2-amino-2-cyclohexyl-N-(2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl)acetamide dihydrochloride


InChi Code: InChI=1S/C22H25N7O2.2ClH/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12;;/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30);2*1H/t19-;;/m1../s1

SMILES Code: O=C(NC1=CC2=C(C3=C1)C(C=NNC3=O)=C(C4=CN(C)N=C4)N2)[C@H](N)C5CCCCC5.[H]Cl.[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: >5 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 492.4 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: Carrassa L, Chilà R, Lupi M, Ricci F, Celenza C, Mazzoletti M, Broggini M, Damia G. Combined inhibition of Chk1 and Wee1: In vitro synergistic effect translates to tumor growth inhibition in vivo. Cell Cycle. 2012 Jul 1;11(13):2507-17. Epub 2012 Jul 1. PubMed PMID: 22713237.

2: Ferrao PT, Bukczynska EP, Johnstone RW, McArthur GA. Efficacy of CHK inhibitors as single agents in MYC-driven lymphoma cells. Oncogene. 2012 Mar 29;31(13):1661-72. doi: 10.1038/onc.2011.358. Epub 2011 Aug 15. PubMed PMID: 21841818.

3: Shibata H, Miuma S, Saldivar JC, Huebner K. Response of subtype-specific human breast cancer-derived cells to poly(ADP-ribose) polymerase and checkpoint kinase 1 inhibition. Cancer Sci. 2011 Oct;102(10):1882-8. Epub 2011 Jul 21. PubMed PMID: 21707865; PubMed Central PMCID: PMC3193851.

4: Chen XM, Lu T, Lu S, Li HF, Yuan HL, Ran T, Liu HC, Chen YD. Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors. J Mol Model. 2010 Jul;16(7):1195-204. Epub 2009 Dec 18. PubMed PMID: 20020310.

5: Zhang C, Yan Z, Painter CL, Zhang Q, Chen E, Arango ME, Kuszpit K, Zasadny K, Hallin M, Hallin J, Wong A, Buckman D, Sun G, Qiu M, Anderes K, Christensen JG. PF-00477736 mediates checkpoint kinase 1 signaling pathway and potentiates docetaxel-induced efficacy in xenografts. Clin Cancer Res. 2009 Jul 15;15(14):4630-40. Epub 2009 Jul 7. PubMed PMID: 19584159.

6: Blasina A, Hallin J, Chen E, Arango ME, Kraynov E, Register J, Grant S, Ninkovic S, Chen P, Nichols T, O'Connor P, Anderes K. Breaching the DNA damage checkpoint via PF-00477736, a novel small-molecule inhibitor of checkpoint kinase 1. Mol Cancer Ther. 2008 Aug;7(8):2394-404. PubMed PMID: 18723486.

7: Ashwell S, Janetka JW, Zabludoff S. Keeping checkpoint kinases in line: new selective inhibitors in clinical trials. Expert Opin Investig Drugs. 2008 Sep;17(9):1331-40. Review. PubMed PMID: 18694366.

Additional Information