Home Other Building Blocks Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester

Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester

CAS No.:
166518-60-1
Catalog Number:
AG001WS5
Molecular Formula:
C29H43NO4S
Molecular Weight:
501.7210
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$111
- +
10mg
99%
1 week
United States
$126
- +
25mg
≥98%
1 week
United States
$247
- +
50mg
99%
1 week
United States
$307
- +
100mg
99%
1 week
United States
$501
- +
200mg
99%
1 week
United States
$779
- +
Product Description
Catalog Number:
AG001WS5
Chemical Name:
Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester
CAS Number:
166518-60-1
Molecular Formula:
C29H43NO4S
Molecular Weight:
501.7210
MDL Number:
MFCD00934956
IUPAC Name:
[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
InChI:
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
SMILES:
O=C(NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C)Cc1c(cc(cc1C(C)C)C(C)C)C(C)C
UNII:
28LQ20T5RC
Properties
Complexity:
734  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.291g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
501.726g/mol
Monoisotopic Mass:
501.291g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2  
Literature
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The combined effect of inhibiting both ACAT and HMG-CoA reductase may directly induce atherosclerotic lesion regression. Atherosclerosis 20010701
Efficacy and short-term safety of a new ACAT inhibitor, avasimibe, on lipids, lipoproteins, and apolipoproteins, in patients with combined hyperlipidemia. Atherosclerosis 20010701
Acyl-CoA:cholesterol acyltransferase inhibitor avasimibe reduces atherosclerosis in addition to its cholesterol-lowering effect in ApoE*3-Leiden mice. Circulation 20010403
Preclinical safety evaluation of avasimibe in beagle dogs: an ACAT inhibitor with minimal adrenal effects. Toxicological sciences : an official journal of the Society of Toxicology 20010201
Properties