200,000+ products from a single source!
sales@angenechem.com
848344-36-5 | (1,3-Benzothiazol-2-yl)[2-[[4-[(morpholin-4-yl)methyl]benzyl]oxy]pyrimidin-4-yl]acetonitrile
CAS No: 848344-36-5 Catalog No: AG00G3NJ MDL No:MFCD08272350
Product Description
Catalog Number:
AG00G3NJ
Chemical Name:
(1,3-Benzothiazol-2-yl)[2-[[4-[(morpholin-4-yl)methyl]benzyl]oxy]pyrimidin-4-yl]acetonitrile
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.