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Chemical structure of BRCA1-IN-2

GC35550

BRCA1-IN-2

Also known as [(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-oxo-3-[[2-oxo-2-(4-phenylbutylamino)ethyl]amino]propyl] dihydrogen phosphate

BRCA1-IN-2 (compound 15) is a cell-permeable protein-protein interaction (PPI) inhibitor for BRCA1 with an IC50 of 0·31 μM and a Kd of 0·3 μM, which shows antitumor activities via the disruption of BRCA1 (BRCT)2/protein interactions

ChemicalCAS1622262-55-8MW544.54FormulaC26H33N4O7P
CAS number
1622262-55-8
Molecular weight
544.54
Formula
C26H33N4O7P
Solubility
Soluble in DMSO
InChIKey
TYEYIJQDNULZJQ-QHCPKHFHSA-N
Catalogue number
GC35550
Brand
GLPBIO
Computed properties PubChem CID 102369451 · XLogP 1.2 · TPSA 170 Ų · H-bond donors 6
XLogP
1.2
TPSA
170 Ų
H-bond donors
6
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
38

SMILES C1=CC=C(C=C1)CCCCNC(=O)CNC(=O)[C@H](COP(=O)(O)O)NC(=O)CCC2=CNC3=CC=CC=C32

Computed descriptors from PubChem (CID 102369451), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.