![4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulphonamide structure, CAS 16673-34-0](/structures/20000/5052_1_16673_34_0.png)
CAS Number16673-34-0
Synonyms5-chloro-2-methoxy-N-[2-(4-sulphamoylphenyl)ethyl]benzamide; 5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide; 4-[2-(5-chloro-2-methoxy-benzamide)ethyl]-benzenesulphonamide; EINECS 240-722-5; 5-Chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamide; MFCD00193756
Molecular FormulaClC6H3(OCH3)CONHCH2C6H4SO2NH2
Molecular Weight368.84
Purity95%
Density1.4±0.1 g/cm3
Melting Point209-214 °C (lit.)
AppearanceLight yellow solid
EINECS240-722-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 16673-34-0 |
| Catalog No. | 2A-9005052 |
| Chinese Name | 4-[2-(5-氯-2-甲氧基苯甲酰氨基)乙基]苯磺酰胺 |
| Synonyms | 5-chloro-2-methoxy-N-[2-(4-sulphamoylphenyl)ethyl]benzamide; 5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide; 4-[2-(5-chloro-2-methoxy-benzamide)ethyl]-benzenesulphonamide; EINECS 240-722-5; 5-Chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamide; MFCD00193756 |
| Molecular Formula | ClC6H3(OCH3)CONHCH2C6H4SO2NH2 |
| Molecular Weight | 368.84 |
| Purity | 95 |
| Density | 1.4±0.1 g/cm3 |
| Melting Point | 209-214 °C (lit.) |
| Appearance | Light yellow solid |
| Storage Condition | Refrigerator |
| Application | NLRP3-IN-2 is an intermediate substrate for the synthesis of glyburide, which can inhibit the formation of NLRP3 inflammasome in cardiomyocytes and limit the infarct size after myocardial ischemia/rep |
| EINECS | 240-722-5 |
| HTC | 2935009090 |
| PubChem ID | 24870067 |
| MDL Number | MFCD00193756 |
| SMILES | COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(N)(=O)=O |
| InChI | 1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22) |
| InChI Key | KVWWTCSJLGHLRM-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/5052_1_16673_34_0.pdf |
| Bioactivity | NLRP3-IN-2, an intermediate substrate in the synthesis of glyburide, inhibits the formation of the NLRP3 inflammasome in cardiomyocytes and limits the infarct size following myocardial ischemia/reperfusion in the mouse, without affecting glucose metabolism[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Immunology/Inflammation >> NOD-like Receptor (NLR) In Vivo NLRP3-IN-2 is well tolerated with no effects on the glucose levels in vivo[1]. NLRP3-IN-2 (100 mg/kg) treatment in a model of AMI due to ischemia+reperfusion significantly inhibits the activity of inflammasome (caspase-1) in the heart by 90% (P<0.01) and reduced infarct size, measured at pathology (by >40%, P<0.01) and with troponin I levels (by >70%, P<0.01) [1]. Animal Model: Experimental acute myocardial infarction (AMI) model in mice[1]. Dosage: 100 mg/kg. Administration: Intraperitoneal administration 30 minutes prior to surgery, then every 6 hours for 3 additional doses. Result: Led to a significant >90% reduction in caspase-1 activity (reflective of the formation of an active inflammasome) in the heart tissue measured 24 hours after ischemia. Led to a significant reduction in the infarct size measured with TTC (>40% reduction) or troponin I levels (>70% reduction) when compared with vehicle alone. References [1]. Carlo Marchetti, et al. A novel pharmacologic inhibitor of the NLRP3 inflammasome limits myocardial injury after ischemia-reperfusion in the mouse. J Cardiovasc Pharmacol. 2014 Apr;63(4):316-322. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Melting Point 209-214 °C Molecular Formula C16H17ClN2O4S Molecular Weight 368.835 Exact Mass 368.059753 PSA 106.87000 LogP 1.74 Index of Refraction 1.598 InChIKey KVWWTCSJLGHLRM-UHFFFAOYSA-N SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 Storage condition Refrigerator |
| Use of | NLRP3-IN-2, an intermediate substrate in the synthesis of glyburide, inhibits the formation of the NLRP3 inflammasome in cardiomyocytes and limits the infarct size following myocardial ischemia/reperfusion in the mouse, without affecting glucose metabolism[1]. Properties Name 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene Sulfonamide Synonym More Synonyms NLRP3-IN-2 Biological Activity Description NLRP3-IN-2, an intermediate substrate in the synthesis of glyburide, inhibits the formation of the NLRP3 inflammasome in cardiomyocytes and limits the infarct size following myocardial ischemia/reperfusion in the mouse, without affecting glucose metabolism[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Immunology/Inflammation >> NOD-like Receptor (NLR) References [1]. Carlo Marchetti, et al. A novel pharmacologic inhibitor of the NLRP3 inflammasome limits myocardial injury after ischemia-reperfusion in the mouse. J Cardiovasc Pharmacol. 2014 Apr;63(4):316-322. Chemical & Physical Properties Exact Mass 368.059753 PSA 106.87000 Index of Refraction 1.598 InChIKey KVWWTCSJLGHLRM-UHFFFAOYSA-N Storage condition Refrigerator |
| 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 |
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