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[1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,1,2-dimethoxy-12-methyl- (34316-15-9)

Identification
Name:[1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,1,2-dimethoxy-12-methyl-
Synonyms:Chelerythrine(6CI);[1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-(9CI);Toddalin;
CAS:34316-15-9
EINECS: 251-930-0
Molecular Formula: C21H18NO4
Molecular Weight: 383.83
InChI: InChI=1/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
Molecular Structure: (C21H18NO4) Chelerythrine(6CI);[1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-(9CI);Toddalin;
Properties
Specification:

The Chelerythrine chloride, with the CAS registry number34316-15-9 , is also known as 1,2-Dimethoxy-N-methyl-[1,3]benzodioxolo[5,6-c]phenanthridinium chloride. It belongs to the product category of Natural Plant Extract. Its EINECS registry number is 251-930-0. This chemical's molecular formula is C21H18ClNO4 and molecular weight is 383.83. What's more, both its IUPAC name and systematic name are the same which is called 1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium. Classification Codes of Chelerythrine chloride are Anti-Bacterial Agents; Anti-Infective Agents and Antineoplastic Agents.

Physical properties about Chelerythrine chloride are: (1) #H bond acceptors: 5; (2) #H bond donors: 0; (3) #Freely Rotating Bonds: 2; (4) Polar Surface Area: 40.8 Å2; (5) Melting Point: 195-205 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, this chemical may cause damage to health. Therefore, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5
(2) InChI: InChI=1/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
(3) InChIKey: LLEJIEBFSOEYIV-UHFFFAOYAP

Biological Activity: Potent, cell-permeable inhibitor of protein kinase C (IC 50 = 660 nM); competitive with respect to the phosphate acceptor and non-competitive with respect to ATP. Has a wide range of biological activities, including antiplatelet, anti-inflammatory, antibacterial and antitumor effects. Activates MAPK pathways, independent of PKC inhibition. Inhibits binding of BclXL to Bak (IC 50 = 1.5 μ M) or Bad proteins and stimulates apoptosis.
Safety Data
Hazard Symbols Xn:Harmful
 

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