CAS Number104206-65-7
Synonymsnitisinonum; 2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione; 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione; 2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione; Orfadin; Nitisinone [INN]; nitisinona; Orfadin (TN); Nitisone; 2-(2-Nitro-4-trifluoromethylbenzoyl)cyclohexane-1,3-dione; 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione; Nitisinone
Molecular FormulaC14H10F3NO5
Molecular Weight329.23
Purity96%%
Density1.5±0.1 g/cm3
Boiling Point486.2±45.0 °C at 760 mmHg
Melting Point129-131°C
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 104206-65-7 |
| Catalog No. | 2A-9093039 |
| Chinese Name | 尼替西农 |
| Synonyms | nitisinonum; 2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione; 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione; 2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione; Orfadin; Nitisinone [INN]; nitisinona; Orfadin (TN); Nitisone; 2-(2-Nitro-4-trifluoromethylbenzoyl)cyclohexane-1,3-dione; 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione; Nitisinone |
| Molecular Formula | C14H10F3NO5 |
| Molecular Weight | 329.23 |
| Purity | 96% |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 486.2±45.0 °C at 760 mmHg |
| Melting Point | 129-131°C |
| Storage Condition | 2-8°C |
| Application | Nitisinone (SC0735) is a 4-hydroxyphenylpyruvate dioxygenase inhibitor. |
| HTC | 2914700090 |
| PubChem ID | 329823580 |
| SMILES | O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] |
| InChI | InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2 |
| InChI Key | OUBCNLGXQFSTLU-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| Bioactivity | Nitisinone(SC0735) is an inhibitor of the enzyme 4-hydroxyphenylpyruvate dioxygenase.Target: 4-Hydroxyphenylpyruvate DioxygenaseNitisinone is a drug used to slow the effects of hereditary tyrosinemia type 1. Nitisinone reduced urinary HGA levels from an average of 4.0 ± 1.8 (SD) g/day to 0.2 ± 0.2 g/day ( P < .001). Low-dose nitisinone effectively reduced urinary HGA levels in patients with alkaptonuria. Future long-term clinical trials are planned to determine the benefits of nitisinone in preventing joint deterioration and providing pain relief, and its long-term side effects [1]. Nitisinone can prevent the development of liver disease and significantly reduce the risk of developing hepatocellular carcinoma; however, vigorous surveillance for the development of HCC needs to be continued lifelong [2]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References [1]. Suwannarat, P., et al., Use of nitisinone in patients with alkaptonuria. Metabolism, 2005. 54(6): p. 719-28. [2]. Santra, S. and U. Baumann, Experience of nitisinone for the pharmacological treatment of hereditary tyrosinaemia type 1. Expert Opin Pharmacother, 2008. 9(7): p. 1229-36. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 486.2±45.0 °C at 760 mmHg Melting Point 129-131°C Molecular Formula C14H10F3NO5 Molecular Weight 329.228 Flash Point 247.9±28.7 °C Exact Mass 329.051117 PSA 97.03000 LogP 1.37 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.535 InChIKey OUBCNLGXQFSTLU-UHFFFAOYSA-N SMILES O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] Storage condition 2-8°C |
| Use of | Properties Articles29 Name nitisinone Synonym More Synonyms Nitisinone Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References [1]. Suwannarat, P., et al., Use of nitisinone in patients with alkaptonuria. Metabolism, 2005. 54(6): p. 719-28. [2]. Santra, S. and U. Baumann, Experience of nitisinone for the pharmacological treatment of hereditary tyrosinaemia type 1. Expert Opin Pharmacother, 2008. 9(7): p. 1229-36. Chemical & Physical Properties Molecular Formula C14H10F3NO5 Exact Mass 329.051117 PSA 97.03000 Index of Refraction 1.535 InChIKey OUBCNLGXQFSTLU-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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