200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1818314-88-3
1818314-88-3 | BMS-1166
CAS No: 1818314-88-3 Catalog No: AG01FNPO MDL No:
Product Description
Catalog Number:
AG01FNPO
Chemical Name:
BMS-1166
CAS Number:
1818314-88-3
Molecular Formula:
C36H33ClN2O7
Molecular Weight:
641.1094
IUPAC Name:
(2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1
InChI Key:
QBXVXKRWOVBUDB-GRKNLSHJSA-N
SMILES:
N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1C[C@@H](C[C@@H]1C(=O)O)O)Cl
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
640.198g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
641.117g/mol
Monoisotopic Mass:
640.198g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. | Journal of medicinal chemistry 20170713 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.