Fangchinoline

Catalog Number	ACM436771-2
CAS Number	436-77-1
Structure
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
Molecular Weight	608.72
Molecular Formula	C37H40N2O6
Canonical SMILES	OC1=C(OC2=CC([C@]3([H])CC(C=C4)=CC=C4O5)=C(CCN3C)C=C2OC)C([C@](N6C)([H])CC7=CC=C(OC)C5=C7)=C(CC6)C=C1OC
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
Purity	99%+
Appearance	White to off-white solid
Storage	4 °C, Protect from light In solvent: -80 °C, 6 months; -20 °C, 1 month (Protect from light)
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
PhysicalState	Solid
Rotatable Bond Count	3
Topological Polar Surface Area	72.9 Ų

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