CAS Number127373-66-4
SynonymsN-(2-(((4-(2,2-Dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)glycine; o-(p-Hydroxybenzenesulfonamido)hippuric Acid Pivalate (Ester); Sivelestat; ONO5046; Sivelestat sodium salt hydrate; EI 546; N-{2-[({4-[(2,2-Dimethylpropanoyl)oxy]phenyl}sulfonyl)amino]benzoyl}glycine
Molecular FormulaC20H22N2O7S
Molecular Weight434.46 (anhydrous free acid basis)
Purity≥98 (HPLC)%
Density1.4±0.1 g/cm3
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 127373-66-4 |
| Catalog No. | 2A-9051822 |
| Chinese Name | 西维来司他 |
| Synonyms | N-(2-(((4-(2,2-Dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)glycine; o-(p-Hydroxybenzenesulfonamido)hippuric Acid Pivalate (Ester); Sivelestat; ONO5046; Sivelestat sodium salt hydrate; EI 546; N-{2-[({4-[(2,2-Dimethylpropanoyl)oxy]phenyl}sulfonyl)amino]benzoyl}glycine |
| Molecular Formula | C20H22N2O7S |
| Molecular Weight | 434.46 (anhydrous free acid basis) |
| Purity | ≥98 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Appearance | solid |
| Storage Condition | -20℃ |
| Application | Sivelestat (ONO5046; LY544349; EI546) is a competitive human neutrophil elastase inhibitor with an IC50 of 44 nM and a Ki of 200 nM. It can also inhibit leukocyte elastase in rabbits, mice, etc. |
| HTC | 2935009090 |
| SMILES | [S](=O)(=O)(Nc2c(cccc2)C(=O)NCC(=O)O)c1ccc(cc1)OC(=O)C(C)(C)C |
| InChI | 1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24) |
| InChI Key | BTGNGJJLZOIYID-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/51822_1_127373_66_4.pdf |
| Bioactivity | Sivelestat(ONO5046; LY544349; EI546) is a competitive inhibitor of human neutrophil elastase(IC50 = 44 nM; Ki=200 nM); also inhibited leukocyte elastase obtained from rabbit, rat, hamster and mouse.IC50 value: 44 nM [1]Target: neutrophil elastaseONO-5046 did not inhibit trypsin, thrombin, plasmin, plasma kallikrein, pancreas kallikrein, chymotrypsin and cathepsin G even at 100 microM. In in vivo studies, ONO-5046 suppressed lung hemorrhage in hamster (ID50 = 82 micrograms/kg) by intratracheal administration and increase of skin capillary permeability in guinea pig (ID50 = 9.6 mg/kg) by intravenous administration, both of which were induced by human neutrophil elastase [1]. Sivelestat sodium hydrate is an anti-neutrophil elastase inhibitor and may be one of the treatment options for acute respiratory failure due to pneumocystis pneumonia in AIDS patients [2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Elastase Research Areas >> Others References [1]. Kawabata K, et al. ONO-5046, a novel inhibitor of human neutrophil elastase. Biochem Biophys Res Commun. 1991 Jun 14;177(2):814-20. [2]. Imokawa S, et al. Acute respiratory failure due to pneumocystis pneumonia successfully treated with combined use of sivelestat sodium hydrate. Nihon Kokyuki Gakkai Zasshi. 2008 Jun;46(6):461-5. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Molecular Formula C20H22N2O7S Molecular Weight 434.463 Exact Mass 434.114777 PSA 147.25000 LogP 2.96 Index of Refraction 1.598 InChIKey BTGNGJJLZOIYID-UHFFFAOYSA-N SMILES CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1 Storage condition -20℃ |
| Use of | Properties Name 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid Synonym More Synonyms Sivelestat sodium salt hydrate Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Elastase Research Areas >> Others References [1]. Kawabata K, et al. ONO-5046, a novel inhibitor of human neutrophil elastase. Biochem Biophys Res Commun. 1991 Jun 14;177(2):814-20. [2]. Imokawa S, et al. Acute respiratory failure due to pneumocystis pneumonia successfully treated with combined use of sivelestat sodium hydrate. Nihon Kokyuki Gakkai Zasshi. 2008 Jun;46(6):461-5. Chemical & Physical Properties Molecular Formula C20H22N2O7S Exact Mass 434.114777 PSA 147.25000 Index of Refraction 1.598 InChIKey BTGNGJJLZOIYID-UHFFFAOYSA-N Storage condition -20℃ |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Shipping Name: UN |
| 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 United Nations shipping name 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 Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): 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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