Acevaltrate

Names

[ 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]

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

Related Compounds

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.