Structure

Fangchinoline

CAS
436-77-1
Catalog Number
ACM436771
Category
Inhibitors
Molecular Weight
608.7

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Specification

Description
Fangchinoline is isolated fromStephania tetrandra with extensive biological activities, such as enhancing immunity, anti-inflammatory sterilization and anti-atherosclerosis. Fangchinoline, a novel HIV-1 inhibitor, inhibits HIV-1 replication by impairing gp160 proteolytic processing. Fangchinoline targets Focal adhesion kinase (FAK) and suppresses FAK-mediated signaling pathway in tumor cells which highly expressed FAK. Fangchinoline induces apoptosis and adaptive autophagy in bladder cancer.
Synonyms
12-O-Methylatherospermoline
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
InChI Key
IIQSJHUEZBTSAT-VMPREFPWSA-N
Melting Point
240-242 °C
Complexity
963
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
608.288637
Heavy Atom Count
45
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
1
Isomeric SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
Monoisotopic Mass
608.288637
Physical State
Solid
Rotatable Bond Count
3
Topological Polar Surface Area
72.9 Ų
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