CAS Number62666-20-0
SynonymsProgabide; Gabren (TN); Progabide (USAN/INN); 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylene]amino]butanamide
Molecular FormulaC17H16O2N2Cl1F1
Molecular Weight334.78
Purity98.00%
Density1.3g/cm3
Boiling Point525.363ºC at 760 mmHg
Melting Point133-135°; mp 142.5° (Kaplan, J. Med. Chem.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 62666-20-0 |
| Catalog No. | 2A-9045752 |
| Chinese Name | 普罗加比 |
| Synonyms | Progabide; Gabren (TN); Progabide (USAN/INN); 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylene]amino]butanamide |
| Molecular Formula | C17H16O2N2Cl1F1 |
| Molecular Weight | 334.78 |
| Purity | 98.00 |
| Density | 1.3g/cm3 |
| Boiling Point | 525.363ºC at 760 mmHg |
| Melting Point | 133-135°; mp 142.5° (Kaplan, J. Med. Chem.) |
| Storage Condition | 2-8℃ |
| Application | Progabide is a gamma-aminobutyric acid (GABA) receptor agonist. |
| HTC | 2925290090 |
| PubChem ID | 7824456 |
| MDL Number | MFCD01740869 |
| SMILES | NC(=O)CCCN=C(c1ccc(Cl)cc1)c1cc(F)ccc1O |
| InChI | InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,21H,1-2,9H2,(H2,20,23)/b17-14+ |
| InChI Key | IBALRBWGSVJPAP-UHFFFAOYSA-N |
| MSDS | msds/45752_1_62666_20_0.pdf |
| Use of | Progabide is a gamma-aminobutyric acid receptor (GABA) agonist. Properties Name 4-[[(Z)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide Synonym More Synonyms Progabide Biological Activity Description Progabide is a gamma-aminobutyric acid receptor (GABA) agonist. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease GABA receptor[1] References [1]. Manev H, et al. Progabide, a GABA mimetic drug, stimulates the secretion of plasma corticosterone in rats. Pharmacol Biochem Behav. 1987 Dec;28(4):443-6. Chemical & Physical Properties Exact Mass 334.08800 PSA 75.68000 LogP 3.98790 Index of Refraction 1.59 InChIKey IBALRBWGSVJPAP-UHFFFAOYSA-N Storage condition 2-8℃ Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Butanamide, 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methyle ne)amino)- CAS REGISTRY NUMBER : 62666-20-0 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C17-H16-Cl-F-N2-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : ZV3NUYR DG&R BQ EF HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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: #4094992 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Endocrine - adrenal cortex tumors REFERENCE : Safety Information HS Code 2925290090 Synthetic Route Total: 1 Page 4-[[(Z)-(4-chlo... CAS#:62665-97-8 CAS#:62666-20-0 Literature: DE2634288 , ; Chem.Abstr., , vol. 86, # 189530 4'-Chloro-5-flu... CAS#:62433-26-5 CAS#:62666-20-0 Literature: DE2634288 , ; Chem.Abstr., , vol. 86, # 189530 Precursor & DownStream Precursor 2 CAS#:62665-97-8 4-[[(Z)-(4-chlo... CAS#:62433-26-5 4'-Chloro-5-flu... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2925290090 other imines and their derivatives; salts thereof. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0% |
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