AZ13705339
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406824

CAS#: 2016806-57-6

Description: 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

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AZ13705339
CAS# 2016806-57-6
Instruction

Theoretical Analysis

MedKoo Cat#: 406824
Name: AZ13705339
CAS#: 2016806-57-6
Chemical Formula: C33H36FN7O3S
Exact Mass: 629.26
Molecular Weight: 629.755
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 2 Weeks
50mg USD 550 2 Weeks
100mg USD 950 2 Weeks
200mg USD 1650 2 Weeks
500mg USD 3650 2 Weeks
1g USD 4950 2 Weeks
2g USD 7650 2 Weeks
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Related CAS #: 2016806-57-6    

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.