Glafenine
Names
[ CAS No. ]:
3820-67-5
[ Name ]:
Glafenine
[Synonym ]:
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
1-Glyceryl N-(7-chloro-4-quinolyl)anthranilate
2,3-Dihydroxypropyl 2-((7-chloroquinolin-4-yl)amino)benzoate
Biological Activity
[Description]:
[Related Catalog]:
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.428g/cm3
[ Boiling Point ]:
618ºC at 760 mmHg
[ Melting Point ]:
170℃
[ Molecular Formula ]:
C19H17ClN2O4
[ Molecular Weight ]:
372.80200
[ Flash Point ]:
327.6ºC
[ Exact Mass ]:
372.08800
[ PSA ]:
91.68000
[ LogP ]:
3.21480
[ Index of Refraction ]:
1.696
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CB2687000
- CHEMICAL NAME :
- Anthranilic acid, N-(7-chloro-4-quinolyl)-, 2,3-dihydroxypropyl ester
- CAS REGISTRY NUMBER :
- 3820-67-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C19-H17-Cl-N2-O4
- MOLECULAR WEIGHT :
- 372.83
- WISWESSER LINE NOTATION :
- T66 BNJ EMR CVO1YQ1Q& IG
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 :
- 2300 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 34,377,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1486 mg/kg
- TOXIC EFFECTS :
- Behavioral - analgesia
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,847,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 74 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1343,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 600 mg/kg/2D-I
- TOXIC EFFECTS :
- Endocrine - changes in adrenal weight Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 34,309,1975
Safety Information
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn
[ Risk Phrases ]:
22
[ Safety Phrases ]:
36
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
CB2687000
[ HS Code ]:
2933499090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933499090
[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Chem. Res. Toxicol. 23 , 171-83, (2010)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).J. Sci. Ind. Res. 65(10) , 808, (2006)
Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...
Developing structure-activity relationships for the prediction of hepatotoxicity.Chem. Res. Toxicol. 23 , 1215-22, (2010)
Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...