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Nms-1286937

CAS No.:
1034616-18-6
Catalog Number:
AG008TIK
Molecular Formula:
C24H27F3N8O3
Molecular Weight:
532.5182
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$210
- +
50mg
99%
1 week
United States
$460
- +
100mg
99%
1 week
United States
$737
- +
Product Description
Catalog Number:
AG008TIK
Chemical Name:
Nms-1286937
CAS Number:
1034616-18-6
Molecular Formula:
C24H27F3N8O3
Molecular Weight:
532.5182
MDL Number:
MFCD26793840
IUPAC Name:
1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
InChI:
InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
InChI Key:
QHLVBNKYJGBCQJ-UHFFFAOYSA-N
SMILES:
OCCn1nc(c2c1c1nc(ncc1CC2)Nc1cc(ccc1OC(F)(F)F)N1CCN(CC1)C)C(=O)N
UNII:
67RM91WDHQ
Properties
Complexity:
817  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.216g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
532.528g/mol
Monoisotopic Mass:
532.216g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
NMS-P937, an orally available, specific small-molecule polo-like kinase 1 inhibitor with antitumor activity in solid and hematologic malignancies. Molecular cancer therapeutics 20120401
NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorganic & medicinal chemistry letters 20110515
Properties