Hypaconitine

Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value: Target: In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1.

Product information

CAS Number: 6900-87-4

Molecular Weight: 615.71

Formula: C33H45NO10

Chemical Name: (2R, 3R, 4R, 5R, 6S, 7S, 8R, 13S, 16S, 17R, 18R)-8-(acetyloxy)-5, 7-dihydroxy-6, 16, 18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1, .0, .0, .0, ]nonadecan-4-yl benzoate

Smiles: CC(=O)O[C@]12[C@H]3[C@@H](OC(=O)C4C=CC=CC=4)[C@](O)(C[C@H]3C34[C@@H]5[C@@H](OC)C1C3N(C)C[C@@]5(CC[C@@H]4OC)COC)[C@@H](OC)[C@@H]2O

InChiKey: FIDOCHXHMJHKRW-WNDRHIBVSA-N

InChi: InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22?,23+,24-,25?,26+,27-,28+,30+,31-,32?,33-/m1/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 50 mg/mL (81.21 mM; Need ultrasonic)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Ling Ye, et al. Microsomal cytochrome P450-mediated metabolism of hypaconitine, an active and highly toxic constituent derived from Aconitum species. Toxicology letters, 2011, 204 (1): 81-91
2. Yang Yuan, et al. Difference of hypaconitine concentration in serum between cold-deficiency and normal mice. China Journal of Chinese Materia Medica, 2010-15
3. Zhang Jinming, Compatibility Effect between Radix Aconiti Lateralis and Radix Glycyrrhizae on Pharmacokinetics of Hypaconitine in Rat Plasma by LC-MS/MS. World Science Technology-Modernization of Traditional Chinese Medicine, 2011-06

Products are for research use only. Not for human use.