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Hypaconitine

Names

[ CAS No. ]:
6900-87-4

[ Name ]:
Hypaconitine

[Synonym ]:
Japaconitine C1
HYPACONITINE (PRIMARY STANDARD)
Aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-
Japaconitine B1
(1α,6α,14α,15α,16β)-8-(acetyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
DEOXYMESACONITINE
15-tetraol,16,16-trimethoxy-4-(methoxymethyl)-20-methyl-18-aconitane-14
(1α,6α,14α,15α,16β)-8-Acetoxy-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
Japaconitine C

Biological Activity

[Description]:

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 [1].In vivo:

[Related Catalog]:

Signaling Pathways >> Apoptosis >> TNF Receptor
Natural Products >> Alkaloid
Research Areas >> Inflammation/Immunology

[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


[Related Small Molecules]

AP 1903 | Pomalidomide | Shikonine | QNZ (EVP4593) | TIC10 | Fisetin | For-Met-Leu-Phe-OH | Cot inhibitor-2 | Taurochenodeoxycholic acid | Necrostatin 2 | C 87 | Sinensetin | AX-024 hydrochloride

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
671.3±55.0 °C at 760 mmHg

[ Molecular Formula ]:
C33H45NO10

[ Molecular Weight ]:
615.711

[ Flash Point ]:
359.8±31.5 °C

[ Exact Mass ]:
615.304321

[ PSA ]:
133.22000

[ LogP ]:
0.92

[ Vapour Pressure ]:
0.0±2.2 mmHg at 25°C

[ Index of Refraction ]:
1.607

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AR5565000
CHEMICAL NAME :
Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
CAS REGISTRY NUMBER :
6900-87-4
LAST UPDATED :
199412
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C33-H45-N-O10
MOLECULAR WEIGHT :
615.79

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1010 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,170,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1900 ug/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,159,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300

[ Precautionary Statements ]:
P301 + P310 + P330

[ Safety Phrases ]:
24/25

[ RIDADR ]:
UN 1544

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
29399990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds