MedKoo Cat#: 406824 | Name: AZ13705339
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Description:

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

AZ13705339 is a potent and selective PAK1 inhibitor with PAK1 IC50 = 0.33 nM. AZ13711265 may be valuable tools for those looking to understand PAK1 biology. Group I PAKs are overexpressed in a wide variety of cancers, and PAK1 is commonly overexpressed in breast tumors with poor prognosis.

Chemical Structure

AZ13705339
AZ13705339
CAS#2016806-57-6

Theoretical Analysis

MedKoo Cat#: 406824

Name: AZ13705339

CAS#: 2016806-57-6

Chemical Formula: C33H36FN7O3S

Exact Mass: 629.2584

Molecular Weight: 629.76

Elemental Analysis: C, 62.94; H, 5.76; F, 3.02; N, 15.57; O, 7.62; S, 5.09

Price and Availability

Size Price Availability Quantity
25mg USD 350.00 2 Weeks
50mg USD 550.00 2 Weeks
100mg USD 950.00 2 Weeks
200mg USD 1,650.00 2 Weeks
500mg USD 3,650.00 2 Weeks
1g USD 4,950.00 2 Weeks
2g USD 7,650.00 2 Weeks
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Related CAS #
Synonym
AZ13705339; AZ-13705339; AZ 13705339
IUPAC/Chemical Name
2-(((2-((3-(ethylsulfonyl)-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-fluoropyrimidin-4-yl)(5-(hydroxymethyl)-2-methylphenyl)amino)methyl)benzonitrile
InChi Key
WPFLVPJXKWCRQK-UHFFFAOYSA-N
InChi Code
InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)
SMILES Code
CN(CC1)CCN1C2=C(S(CC)(=O)=O)C=C(NC3=NC(N(CC4=CC=CC=C4C#N)C5=C(C)C=CC(CO)=C5)=C(F)C=N3)C=C2
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
>2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 629.76 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.

Recalculate based on batch purity %
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: McCoull W, Hennessy EJ, Blades K, Chuaqui C, Dowling JE, Ferguson AD, Goldberg FW, Howe N, Jones CR, Kemmitt PD, Lamont G, Varnes JG, Ward RA, Yang B. Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett. 2016 Sep 14;7(12):1118-1123. eCollection 2016 Dec 8. PubMed PMID: 27994749; PubMed Central PMCID: PMC5150691.