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.

Product information

CAS Number: 1622262-55-8

Molecular Weight: 544.54

Formula: C26H33N4O7P

Chemical Name: [(2S)-2-[3-(1H-indol-3-yl)propanamido]-2-({[(4-phenylbutyl)carbamoyl]methyl}carbamoyl)ethoxy]phosphonic acid

Smiles: OP(O)(=O)OC[C@H](NC(=O)CCC1=CNC2=CC=CC=C12)C(=O)NCC(=O)NCCCCC1C=CC=CC=1

InChiKey: TYEYIJQDNULZJQ-QHCPKHFHSA-N

InChi: InChI=1S/C26H33N4O7P/c31-24(14-13-20-16-28-22-12-5-4-11-21(20)22)30-23(18-37-38(34,35)36)26(33)29-17-25(32)27-15-7-6-10-19-8-2-1-3-9-19/h1-5,8-9,11-12,16,23,28H,6-7,10,13-15,17-18H2,(H,27,32)(H,29,33)(H,30,31)(H2,34,35,36)/t23-/m0/s1

Technical Data

Appearance: Solid Power

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

Solubility: DMSO : 100 mg/mL (183.64 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

Products are for research use only. Not for human use.