| Chemical & Physical Properties | |
|---|---|
| CAS Number | 51411-04-2 |
| Catalog No. | 2A-9009134 |
| Chinese Name | 阿瑞司他丁 |
| Synonyms | Alrestatine; 2,3-Dioxopropyl dihydrogen phosphate; alrestatin |
| Molecular Formula | C14H9O4N1 |
| Molecular Weight | 255.23 |
| Purity | 98 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 359.1±44.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Alrestatin is an inhibitor of aldose reductase, an enzyme involved in the pathogenesis of diabetic complications, including diabetic neuropathy. |
| HTC | 2933990090 |
| MDL Number | MFCD00181399 |
| SMILES | O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O |
| InChI | InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17) |
| InChI Key | GCUCIFQCGJIRNT-UHFFFAOYSA-N |
| MSDS | msds/9134_1_51411_04_2.pdf |
| Use of | Alrestatin is an inhibitor of aldose reductase, an enzyme involved in the pathogenesis of complications of diabetes mellitus, including diabetic neuropathy. Properties Name 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid Synonym More Synonyms Alrestatin Biological Activity Description Alrestatin is an inhibitor of aldose reductase, an enzyme involved in the pathogenesis of complications of diabetes mellitus, including diabetic neuropathy. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Aldose Reductase Research Areas >> Endocrinology Chemical & Physical Properties Molecular Formula C14H9NO4 Exact Mass 167.982376 PSA 76.37000 LogP -2.47 Index of Refraction 1.480 InChIKey GCUCIFQCGJIRNT-UHFFFAOYSA-N Storage condition -20℃ Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1H-Benz(de)isoquinoline-2(3H)-acetic acid, 1,3-dioxo- CAS REGISTRY NUMBER : 51411-04-2 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C14-H9-N-O4 MOLECULAR WEIGHT : 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 : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4405625 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat 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: #4118495 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat 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: #4118495 Safety Information HS Code 2933990090 Synthetic Route 1,8-Naphthalic ... CAS#:81-84-5 CAS#:56-40-6 Alrestatin CAS#:51411-04-2 Literature: Donkor, Isaac O.; Abdel-Ghany, Yasser S.; Kador, Peter F.; Mizoguchi, Tadashi; Bartoszko-Malik, Anita; Miller, Duane D. European Journal of Medicinal Chemistry, 1998 , vol. 33, # 1 p. 15 - 22 N-(carboethoxym... CAS#:78052-77-4 Alrestatin CAS#:51411-04-2 Literature: Takahashi, Yasutake; Miyashi, Tsutomu; Yoon, Ung Chan; Oh, Sun Wha; Mancheno, Maria; Su, Zhuoyi; Falvey, Daniel F.; Mariano, Patrick S. Journal of the American Chemical Society, 1999 , vol. 121, # 16 p. 3926 - 3932 tert-butyl 2-(1... CAS#:476359-53-2 Alrestatin CAS#:51411-04-2 Literature: Ikeda, Hisafumi; Nakamura, Yushin; Saito, Isao Tetrahedron Letters, 2002 , vol. 43, # 32 p. 5525 - 5528 Precursor & DownStream Precursor 6 CAS#:81-84-5 1,8-Naphthalic ... CAS#:56-40-6 CAS#:78052-77-4 N-(carboethoxym... CAS#:135980-44-8 methyl (1,3-dio... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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