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SD-06

CAS No.:
271576-80-8
Catalog Number:
AG00BF4K
Molecular Formula:
C20H20ClN5O2
Molecular Weight:
397.8581
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$251
- +
10mg
98%
1 week
United States
$335
- +
25mg
98%
1 week
United States
$612
- +
50mg
98%
1 week
United States
$890
- +
100mg
98%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG00BF4K
Chemical Name:
SD-06
CAS Number:
271576-80-8
Molecular Formula:
C20H20ClN5O2
Molecular Weight:
397.8581
MDL Number:
MFCD17019341
IUPAC Name:
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
InChI:
InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
InChI Key:
CATQHDWESBRRQA-UHFFFAOYSA-N
SMILES:
OCC(=O)N1CCC(CC1)c1[nH]nc(c1c1ccncn1)c1ccc(cc1)Cl
UNII:
C57VF8YO91
Properties
Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.131g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
397.863g/mol
Monoisotopic Mass:
397.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Critical role for apoptosis signal-regulating kinase 1 in the development of inflammatory K/BxN serum-induced arthritis. International immunopharmacology 20101001
Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase. Bioorganic & medicinal chemistry letters 20100415
Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry 20090714
Purification and properties of pepstatin hydrolase from Bacillus sphaericus. The Journal of antibiotics 19751201
Properties