BRCA1-IN-1 | CAS#1622262-74-1 | BRCA1 inhibitor

MedKoo Cat#: 462241 | Name: BRCA1-IN-1

Description:

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

BRCA1-IN-1 is a novel small-molecule-like BRCA1 inhibitor.

Chemical Structure

BRCA1-IN-1

CAS#1622262-74-1

Theoretical Analysis

MedKoo Cat#: 462241

Name: BRCA1-IN-1

CAS#: 1622262-74-1

Chemical Formula: C27H33F2N4O6P

Exact Mass: 578.2106

Molecular Weight: 578.55

Elemental Analysis: C, 56.05; H, 5.75; F, 6.57; N, 9.68; O, 16.59; P, 5.35

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

BRCA1-IN-1; BRAC1 inhibitor 1

IUPAC/Chemical Name

(S)-(3-(3-(1H-indol-3-yl)propanamido)-1,1-difluoro-4-oxo-4-((2-oxo-2-((4-phenylbutyl)amino)ethyl)amino)butyl)phosphonic acid

InChi Key

ONHSSHPYNSJFHU-QHCPKHFHSA-N

InChi Code

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

SMILES Code

O=C(N[C@@H](CC(F)(F)P(O)(O)=O)C(NCC(NCCCCC1=CC=CC=C1)=O)=O)CCC2=CNC3=C2C=CC=C3

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

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 578.55 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.

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

1: Na Z, Pan S, Uttamchandani M, Yao SQ. Discovery of cell-permeable inhibitors that target the BRCT domain of BRCA1 protein by using a small-molecule microarray. Angew Chem Int Ed Engl. 2014;53(32):8421-8426. doi:10.1002/anie.201405169