Dasatinib (monohydrate) - ≥98% , CAS No.863127-77-9

CAS: 863127-77-9 Cat. No.: D341181 Molecular Weight: 506.03 EC Number: 638-874-6

GRADE & PURITY ≥98%

Synonyms

AM20030145 | dasatinib.H2O | A16320 | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide--water (1/1) | DTXSID50235486 | 863127-77-9 (hydrate) | BD164354 | DASATINIB [JAN] | Dasati

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Dasatinib is a 2-aminothiazole-derived inhibitor of Src family kinases. Dasatinib inhibits c-Abl and Bcr-Abl tyrosine kinase activity and shows efficacy against imatinib-resistant Bcr-Abl mutations.

Specifications

Synonyms

AM20030145 | dasatinib.H2O | A16320 | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1, 3-thiazole-5-carboxamide--water (1/1) | DTXSID50235486 | 863127-77-9 (hydrate) | BD164354 | DASATINIB [JAN] | Dasati

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Once this solution is separated into aliquots, the product can be stored for up to two weeks at 4°C and up to six months at -80°C.

Purity

≥98%

Product Properties

• Ki Data: Tyrosine-protein kinase LCK: Ki= 0.064 nM (mouse); Hck: Ki= 0.316 nM (human); SRMS: Ki= 0.631 nM (human); SIK2: Ki= 0.794 nM (human); PDGFRA: Ki= 1.26 nM (human)

Names and Identifiers

• Pubchem Sid: 504766530
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766530
• Canonical Smiles: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO.O
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydrate
• InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N
• INCHI: 1S/C22H26ClN7O2S.H2O/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2
• Isomeric SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO.O
• Alternate CAS: 863127-77-9
• MeSH Entry Terms: (18F)-N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide;354825, BMS;BMS 354825;BMS-354825;BMS354825;dasatinib;N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methyl
• Molecular Weight: 506.03
• Reaxy-Rn: 14444783
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14444783&ln=

Chemical and Physical Properties

• Solubility: Soluble in water (5.06 mg/ml), ethanol (poorly), and DMSO (200 mg/ml).
• Refractive Index: n20D1.69 (Predicted)
• Melt Point(°C): 261-285° C
• Molecular Weight: 506.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 505.166 Da
• Monoisotopic Mass: 505.166 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 642.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3