BRCA1-IN-1 - CAS 1622262-74-1
Category: Inhibitor
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Molecular Formula:
C27H33F2N4O6P
Molecular Weight:
578.54
COA:
Inquire
Targets:
PARP
Description:
A novel small-molecule-like BRCA1 inhibitor (IC50= 0.53 μM) (Ki= 0.71 μM)
Synonyms:
[(3S)-1,1-difluoro-3-[3-(1H-indol-3-yl)propanoylamino]-4-oxo-4-[[2-oxo-2-(4-phenylbutylamino)ethyl]amino]butyl]phosphonic acid
Solubility:
DMSO
Storage:
Store in a cool and dry place (or refer to the Certificate of Analysis).
MSDS:
Inquire
Density:
1.360±0.06 g/cm3
InChIKey:
ONHSSHPYNSJFHU-QHCPKHFHSA-N
InChI:
1S/C27H33F2N4O6P/c28-27(29,40(37,38)39)16-23(33-24(34)14-13-20-17-31-22-12-5-4-11-21(20)22)26(36)32-18-25(35)30-15-7-6-10-19-8-2-1-3-9-19/h1-5,8-9,11-12,17,23,31H,6-7,10,13-16,18H2,(H,30,35)(H,32,36)(H,33,34)(H2,37,38,39)/t23-/m0/s1
Canonical SMILES:
C1=CC=C(C=C1)CCCCNC(=O)CNC(=O)C(CC(F)(F)P(=O)(O)O)NC(=O)CCC2=CNC3=CC=CC=C32
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Chemical Structure

CAS 1622262-74-1 BRCA1-IN-1

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