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1146618-41-8

1146618-41-8 | Urea, N-(3-chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]-, methanesulfonate (1:1)

CAS No: 1146618-41-8 Catalog No: AG000EZ8 MDL No:MFCD16621142

Product Description

Catalog Number:
AG000EZ8
Chemical Name:
Urea, N-(3-chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]-, methanesulfonate (1:1)
CAS Number:
1146618-41-8
Molecular Formula:
C19H19ClN6O4S3
Molecular Weight:
527.0400
MDL Number:
MFCD16621142
IUPAC Name:
1-(3-chlorophenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea;methanesulfonic acid
InChI:
InChI=1S/C18H15ClN6OS2.CH4O3S/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16;1-5(2,3)4/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26);1H3,(H,2,3,4)
InChI Key:
FYCODPVDEFFWSR-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl
UNII:
KGW32FDY3U

Properties

Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.032g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
527.029g/mol
Monoisotopic Mass:
526.032g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Aurora kinase inhibitors as anti-cancer therapy. Anti-cancer drugs 20100401
SNS-314, a pan-Aurora kinase inhibitor, shows potent anti-tumor activity and dosing flexibility in vivo. Cancer chemotherapy and pharmacology 20100301
2-Aminobenzimidazoles as potent Aurora kinase inhibitors. Bioorganic & medicinal chemistry letters 20090901
Discovery and development of aurora kinase inhibitors as anticancer agents. Journal of medicinal chemistry 20090514
The Aurora kinase inhibitor SNS-314 shows broad therapeutic potential with chemotherapeutics and synergy with microtubule-targeted agents in a colon carcinoma model. Molecular cancer therapeutics 20090401
Water-soluble prodrugs of an Aurora kinase inhibitor. Bioorganic & medicinal chemistry letters 20090301
Discovery of a potent and selective aurora kinase inhibitor. Bioorganic & medicinal chemistry letters 20080901

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