Basic information
- CAS
1263-79-2- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3- InChIKey
WVTKBKWTSCPRNU-LOYHVIPDSA-N- Molecular formula
- C38H42N2O6
- Average molar mass
- 622.7 g/mol
- Monoisotopic mass
- 622.30428706
Overview
(-)-tetrandrine has been reported in Phaeanthus ophthalmicus, Cyclea peltata, and other organisms with data available.
Names & identifiers
- Preferred name
- Phaeanthine
- IUPAC
- (1R,14R)-9,20,21,25-tetramethoxy-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-dodecaene
- English name
- L-Tetrandrine
- Molecular formula
- C38H42N2O6
- Molecular weight
- 622.75
Names & synonyms
PHAEANTHINE(1R,14R)-9,20,21,25-tetramethoxy-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-dodecaene(1R,14R)-9,20,21,25-tetramethoxy-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-dodecaeneRefChem:1094646Pheanthine(-)-Tetrandrine1263-79-2L-Tetrandrine(-)-PhaeanthineO,O-DimethylkrukovineNSC105130DDW9ZLW86P
Show more names
PHAENTHINEPheanthine, 10 mM in DMSO16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aR,16aR)-
NSC-105130Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1'-beta)-Tetrondrine HClTetrondrine dihydrochloride(11R,31R)-16,36,37,54-Tetramethoxy-12,32-dimethyl-11,12,13,14,31,32,33,34-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphanetetramethoxy(dimethyl)[?]Tetrandrine, (-)-UNII-DDW9ZLW86P
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 979
Physicochemical properties
- Melting point
- 210 ° · 210°
- alpha
- 20 · D20 -278° (chloroform)
- Boiling point
- 710.547 · 710.547±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.702 · 7.702±0.20(predicted)
- FDA UNII
- 9 ZLW86P · DDW9ZLW86P
Chemistry & industry
Applications
UsesPheanthine (Compound 2) is an antiplasmodial agent, that inhibits chloroquine-resistant Plasmodium falciparum K-1 (IC50 is 0.8 μM) and chloroquine-sensitive P. falciparum strain NF54 A19A (IC50 of 0.03 μM). Pheanthine exhibits low cytotoxicity in human lung fibrosblast (MRC-5, IC50 is 11.2 μM) and macrophages (PMM, IC50 is 8 μM)[1].
Suppliers7 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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