CAS Number166518-60-1
Synonyms2,6-Diisopropylphenyl [(2,4,6-triisopropylphenyl)acetyl]sulfamate; Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester; [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate; 2,6-di(propan-2-yl)phenyl {[2,4,6-tri(propan-2-yl)phenyl]acetyl}sulfamate; Avasimibe; CI-1011
Molecular FormulaC29H43NO4S
Molecular Weight501.72
Purity≥98 (HPLC)%
Density1.1±0.1 g/cm3
Melting Point178-180° (Lee); mp 169.5-170.4° (Dozeman)
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 166518-60-1 |
| Catalog No. | 2A-9090804 |
| Chinese Name | 阿伐麦布 |
| Synonyms | 2,6-Diisopropylphenyl [(2,4,6-triisopropylphenyl)acetyl]sulfamate; Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester; [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate; 2,6-di(propan-2-yl)phenyl {[2,4,6-tri(propan-2-yl)phenyl]acetyl}sulfamate; Avasimibe; CI-1011 |
| Molecular Formula | C29H43NO4S |
| Molecular Weight | 501.72 |
| Purity | ≥98 (HPLC) |
| Density | 1.1±0.1 g/cm3 |
| Melting Point | 178-180° (Lee); mp 169.5-170.4° (Dozeman) |
| Appearance | powder |
| Water Solubility | DMSO: ≥40mg/mL |
| Storage Condition | room temp |
| Application | Avasimibe is an orally available acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor with IC50s of 24 and 9.2 µM, respectively. |
| HTC | 2935009090 |
| PubChem ID | 329823764 |
| MDL Number | MFCD00934956 |
| SMILES | CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C |
| InChI | 1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31) |
| InChI Key | PTQXTEKSNBVPQJ-UHFFFAOYSA-N |
| NACRES Code | NA.28 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/90804_1_166518_60_1.pdf |
| Bioactivity | Avasimibe is an oral inhibitor of acyl-Coenzyme A:cholesterol acyltransferase (ACAT) with IC50s of 24 and 9.2 µM for ACAT1 and ACAT2, respectively. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Acyltransferase Research Areas >> Cancer References [1]. Tardif JC et al. Effects of the acyl coenzyme A:cholesterol acyltransferase inhibitor avasimibe on human atherosclerotic lesions. Circulation, 2004 Nov 23, 110(21):3372-7. [2]. Raal FJ et al. Avasimibe, an ACAT inhibitor, enhances the lipid lowering effect of atorvastatin in subjects with homozygousfamilial hypercholesterolemia. Atherosclerosis, 2003 Dec, 171(2):273-9. [3]. Delsing DJ et al. Acyl-CoA:cholesterol acyltransferase inhibitor avasimibe reduces atherosclerosis in addition to its cholesterol-lowering effect in ApoE*3-Leiden mice. Circulation, 2001 Apr 3, 103(13):1778-86. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Melting Point 178-180° (Lee); mp 169.5-170.4° (Dozeman) Molecular Formula C29H43NO4S Molecular Weight 501.721 Exact Mass 501.291290 PSA 80.85000 LogP 9.34 Appearance of Characters white to tan Index of Refraction 1.529 InChIKey PTQXTEKSNBVPQJ-UHFFFAOYSA-N SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 Storage condition room temp Water Solubility DMSO: ≥40mg/mL |
| Use of | Avasimibe is an oral inhibitor of acyl-Coenzyme A:cholesterol acyltransferase (ACAT) with IC50s of 24 and 9.2 µM for ACAT1 and ACAT2, respectively. Properties Articles23 Name [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid Synonym More Synonyms Avasimibe Biological Activity Description Avasimibe is an oral inhibitor of acyl-Coenzyme A:cholesterol acyltransferase (ACAT) with IC50s of 24 and 9.2 µM for ACAT1 and ACAT2, respectively. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Acyltransferase Research Areas >> Cancer References [1]. Tardif JC et al. Effects of the acyl coenzyme A:cholesterol acyltransferase inhibitor avasimibe on human atherosclerotic lesions. Circulation, 2004 Nov 23, 110(21):3372-7. [2]. Raal FJ et al. Avasimibe, an ACAT inhibitor, enhances the lipid lowering effect of atorvastatin in subjects with homozygousfamilial hypercholesterolemia. Atherosclerosis, 2003 Dec, 171(2):273-9. [3]. Delsing DJ et al. Acyl-CoA:cholesterol acyltransferase inhibitor avasimibe reduces atherosclerosis in addition to its cholesterol-lowering effect in ApoE*3-Leiden mice. Circulation, 2001 Apr 3, 103(13):1778-86. Chemical & Physical Properties Molecular Formula C29H43NO4S Exact Mass 501.291290 PSA 80.85000 Appearance of Characters white to tan Index of Refraction 1.529 InChIKey PTQXTEKSNBVPQJ-UHFFFAOYSA-N Storage condition room temp |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Purity: 98.0% |
| 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 |
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