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AS-602801

CAS No.:
848344-36-5
Catalog Number:
AG00G3NJ
Molecular Formula:
C25H23N5O2S
Molecular Weight:
457.5474
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$101
- +
5mg
99%
1 week
United States
$154
- +
10mg
99%
1 week
United States
$223
- +
50mg
99%
1 week
United States
$404
- +
100mg
99%
1 week
United States
$682
- +
500mg
99%
1 week
United States
$2140
- +
1g
99%
1 week
United States
$3807
- +
2g
99%
1 week
United States
$6029
- +
Product Description
Catalog Number:
AG00G3NJ
Chemical Name:
AS-602801
CAS Number:
848344-36-5
Molecular Formula:
C25H23N5O2S
Molecular Weight:
457.5474
MDL Number:
MFCD08272350
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile
InChI:
InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2
InChI Key:
XCPPIJCBCWUBNT-UHFFFAOYSA-N
SMILES:
N#CC(c1nc2c(s1)cccc2)c1ccnc(n1)OCc1ccc(cc1)CN1CCOCC1
Properties
Complexity:
660  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.157g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.552g/mol
Monoisotopic Mass:
457.157g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
The novel JNK inhibitor AS602801 inhibits cancer stem cells in vitro and in vivo. Oncotarget 20160510
c-Jun NH2-terminal kinase inhibitor bentamapimod reduces induced endometriosis in baboons: an assessor-blind placebo-controlled randomized study. Fertility and sterility 20160301
Bentamapimod (JNK Inhibitor AS602801) Induces Regression of Endometriotic Lesions in Animal Models. Reproductive sciences (Thousand Oaks, Calif.) 20160101
Letter: The formation of a semiquinone form of deazaFAD bound to D-amino acid oxidase. Journal of the American Chemical Society 19760204
Properties