AP24163 | CAS# 926922-16-9 | BCR-ABL Inhibitor

MedKoo Cat#: 565066 | Name: AP24163

Description:

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

AP24163 is an inhibitor of the gatekeeper mutant of BCR-ABL, thereby suppressing in vitro resistance.

Chemical Structure

AP24163

CAS#926922-16-9

Theoretical Analysis

MedKoo Cat#: 565066

Name: AP24163

CAS#: 926922-16-9

Chemical Formula: C29H25F3N8O

Exact Mass: 558.2103

Molecular Weight: 558.57

Elemental Analysis: C, 62.36; H, 4.51; F, 10.20; N, 20.06; O, 2.86

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.

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Related CAS #

No Data

Synonym

AP-24163; AP24163; AP 24163

IUPAC/Chemical Name

3-[(1E)-2-[6-(Cyclopropylamino)-9H-purin-9-yl]ethenyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-benzamide

InChi Key

XQBYDVRVYRYLCH-BQYQJAHWSA-N

InChi Code

InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+

SMILES Code

O=C(NC1=CC(C(F)(F)F)=CC(N2C=C(C)N=C2)=C1)C3=CC=C(C)C(/C=C/N4C=NC5=C(NC6CC6)N=CN=C45)=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 558.57 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: Schenone S, Brullo C, Musumeci F, Botta M. Novel dual Src/Abl inhibitors for hematologic and solid malignancies. Expert Opin Investig Drugs. 2010 Aug;19(8):931-45. doi: 10.1517/13543784.2010.499898. Review. PubMed PMID: 20557276. 2: Azam M, Powers JT, Einhorn W, Huang WS, Shakespeare WC, Zhu X, Dalgarno D, Clackson T, Sawyer TK, Daley GQ. AP24163 inhibits the gatekeeper mutant of BCR-ABL and suppresses in vitro resistance. Chem Biol Drug Des. 2010 Feb;75(2):223-7. doi: 10.1111/j.1747-0285.2009.00911.x. Epub 2009 Dec 17. PubMed PMID: 20028401. 3: Zhou T, Commodore L, Huang WS, Wang Y, Sawyer TK, Shakespeare WC, Clackson T, Zhu X, Dalgarno DC. Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template. Chem Biol Drug Des. 2010 Jan;75(1):18-28. doi: 10.1111/j.1747-0285.2009.00905.x. Epub 2009 Nov 5. PubMed PMID: 19895503. 4: Huang WS, Zhu X, Wang Y, Azam M, Wen D, Sundaramoorthi R, Thomas RM, Liu S, Banda G, Lentini SP, Das S, Xu Q, Keats J, Wang F, Wardwell S, Ning Y, Snodgrass JT, Broudy MI, Russian K, Daley GQ, Iuliucci J, Dalgarno DC, Clackson T, Sawyer TK, Shakespeare WC. 9-(Arenethenyl)purines as dual Src/Abl kinase inhibitors targeting the inactive conformation: design, synthesis, and biological evaluation. J Med Chem. 2009 Aug 13;52(15):4743-56. doi: 10.1021/jm900166t. PubMed PMID: 19572547.