CAS 51-77-4|Gefarnate

Introduction：Basic information about CAS 51-77-4|Gefarnate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Gefarnate BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	Gefarnate
CAS Number	51-77-4	Molecular Weight	400.637
Density	0.9±0.1 g/cm3	Boiling Point	484.7±34.0 °C at 760 mmHg
Molecular Formula	C₂₇H₄₄O₂	Melting Point	25°C
MSDS	/	Flash Point	93.3±24.0 °C

Names

Name	[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
Synonym	More Synonyms

Gefarnate BiologicalActivity

Description	Gefarnate is a drug used for the treatment of gastritis and gastric ulcer, and has been proposed for use in the treatment of dry eye syndrome.
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
In Vitro	Gefarnate (0.001, 0.01, or 0.1 mg/mL) increases mucin-like glycoprotein secretion in a dose-dependent fashion, but the difference from the control is significant only at the concentration of 0.1 mg/mL. Gefarnate specifically stimulates the mucin-like glycoprotein secretion[1].
References	[1]. Nakamura M, et al. Gefarnate stimulates secretion of mucin-like glycoproteins by corneal epithelium in vitro and protects corneal epithelium from desiccation in vivo. Exp Eye Res. 1997 Oct;65(4):569-74.

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	484.7±34.0 °C at 760 mmHg
Melting Point	25°C
Molecular Formula	C₂₇H₄₄O₂
Molecular Weight	400.637
Flash Point	93.3±24.0 °C
Exact Mass	400.334137
PSA	26.30000
LogP	10.53
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.489
InChIKey	ZPACYDRSPFRDHO-ROBAGEODSA-N
SMILES	CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XB8890000

CHEMICAL NAME :: 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-

CAS REGISTRY NUMBER :: 51-77-4

LAST UPDATED :: 199701

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C27-H44-O2

MOLECULAR WEIGHT :: 400.71

WISWESSER LINE NOTATION :: 1Y1&U3Y1&U3Y1&U3VO2UY1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >9 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2040 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >13500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >8 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >4 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2821 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >13500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982

Synonyms

Gepharnate

arsanyl

(2E)-3,7-Dimethylocta-2,6-dien-1-yl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate

Gefanil

Gefarnate [INN:BAN:JAN]

(E)-Geranyl (E,E)-farnesylacetate

Gefarnyl

Osteol

EINECS 200-121-0

trans-(4,5),trans-(8,9)-Farnesylessigsaeure-geranylester

Gefarnate

(2E)-3,7-Dimethyl-2,6-octadien-1-yl (4E,8E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate

(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester

DA-688

Gefarnato [INN-Spanish]

Geranyl farnesylacetate

5,9,13-Trimethyl-4,8,12-tetradecatrienoic acid 3,7-dimethyl-2,6-octadienyl ester

(4E,8E)-Farnesylacetic acid geranyl ester

Gefarnil

Gefarnatum [INN-Latin]

4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (4E,8E)-

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