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Acevaltrate

Names

[ CAS No. ]:
25161-41-5

[ Name ]:
Acevaltrate

[Synonym ]:
Acevaltrate
(1S,6S,7R,7aS)-4-(Acetoxymethyl)-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-acetoxy-3-methylbutanoate
Acetoxyvaltrate
EINECS 246-685-1
1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta[c]pyran-7(6H),2'-oxirane)-4-methanol 4-Acetate 1(or 6)-Isovalerate 6(or 1)-(3-Hydroxy-3-methylbutyrate Acetate)
Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6-yl ester
Acevaltratum
3-(Acetyloxy)-3-methylbutanoic acid (1S-(1a,6a,7b,7aa))-4-((Acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro(cyclopenta[c]pyran-7(1H),2'-oxiran)-6-yl Ester
Acetovaltrate
(1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate

Biological Activity

[Description]:

Acevaltrate, isolated from Valeriana glechomifolia, inhibits the Na+/K+-ATPase activity in the rat kidney and brain hemispheres with IC50s of 22.8±1.1 μM and 42.3±1.0 μM, respectively[1].

[Related Catalog]:

Signaling Pathways >> Membrane Transporter/Ion Channel >> Na+/K+ ATPase
Natural Products >> Terpenoids and Glycosides
Research Areas >> Neurological Disease

[Target]

IC50: 22.8±1.1 μM (Na+/K+-ATPase, in rat kidney), 42.3±1.0 μM (Na+/K+-ATPase, in rat brain hemispheres)[1]


[In Vitro]

Acevaltrate differentiallys inhibit the activity of rat P-type ATPases in vitro. 60.7±7.3% inhibition of the rat H+/K+-ATPase is achieved at 100 µM[1].

[References]

[1]. Bettero GM, et al. In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. Planta Med. 2011 Oct;77(15):1702-6.


[Related Small Molecules]

digoxin | Ouabain Octahydrate | Istaroxime (hydrochloride) | Phlorizin | Digitoxin | ginsenoside Rb1 | Rostafuroxin | Oleandrin | (+)-SJ733 | Prilocaine

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
538.7±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C24H32O10

[ Molecular Weight ]:
480.505

[ Flash Point ]:
229.0±30.2 °C

[ Exact Mass ]:
480.199554

[ PSA ]:
126.96000

[ LogP ]:
1.91

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.531

[ Storage condition ]:
2-8C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7713300
CHEMICAL NAME :
Butanoic acid, 3-(acetyloxy)-3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1- oxobutoxy)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-6 -yl ester, (1S-(1-alpha,6-alpha,7-beta, 7a-alpha))-
CAS REGISTRY NUMBER :
25161-41-5
LAST UPDATED :
199703
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C24-H32-O10
MOLECULAR WEIGHT :
480.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476