Berbamine

Berbamine

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Catalog Number ACM478615-1
CAS Number 478-61-5
Structure
Description Berbamine is a natural compound that has been used in traditional medicine to treat various skin and eye infections. Berbamine inhibits bacterial growth by binding to DNA and RNA, which prevents transcription and replication. Berbamine also inhibits the production of reactive oxygen species (ROS) through the inhibition of mitochondrial electron transport. This property may be useful in cancer therapy as it can kill cancer cells by inducing apoptosis, or programmed cell death. In addition, berbamine has shown significant cytotoxicity against hl-60 cells when tested using a fluorescence probe, suggesting that it may be useful for treating cancer.
Synonyms 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol
IUPAC Name (1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
Molecular Weight 608.72
Molecular Formula C37H40N2O6
Canonical 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)OC)O)OC
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
InChI Key DFOCUWZXJBAUSQ-URLMMPGGSA-N
Boiling Point 655.15 °C
Melting Point 198.5 °C
Purity 98%
Density 1.16 g/ml
Appearance White powder
Storage store at 10℃-25℃
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)OC)O)OC
MDL Number MFCD11501559
Monoisotopic Mass 608.288637
PhysicalState Powder
Rotatable Bond Count 3
Topological Polar Surface Area 72.9 Ų

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