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Avasimibe

Molecular FormulaC₂₉H₄₃NO₄S
Average mass501.721 Da
Monoisotopic mass501.291290 Da
ChemSpider ID145759

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

[2-(2,4,6-Triisopropylphényl)acétyl]sulfamate de 2,6-diisopropylphényle [French] [ACD/IUPAC Name]

1-({[2,6-bis(propan-2-yl)phenoxy]sulfonyl}amino)-2-[2,4,6-tris(propan-2-yl)phenyl]ethan-1-one

166518-60-1 [RN]

2,6-di(propan-2-yl)phenyl {[2,4,6-tri(propan-2-yl)phenyl]acetyl}sulfamate

2,6-Diisopropylphenyl [(2,4,6-triisopropylphenyl)acetyl]sulfamate [ACD/IUPAC Name]

2,6-Diisopropylphenyl-[(2,4,6-triisopropylphenyl)acetyl]sulfamat [German] [ACD/IUPAC Name]

28LQ20T5RC

avasimiba [Spanish] [INN]

avasimibe [French] [INN]

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Avasimibe [INN] [USAN]

avasimibum [Latin] [INN]

MFCD00934956 [MDL number]

PD 148515

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

((2,4,6-Tris(1-methylethyl)phenyl)acetyl)sulfamic acid 2,6-bis(1-methylethyl)phenyl ester

(2,6-diisopropylphenyl) N-[2-(2,4,6-triisopropylphenyl)acetyl]sulfamate

[166518-60-1] [RN]

[2-(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 2,6-diisopropyl-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] N-[2-[2,4,6-tri(propan-2-yl)phenyl]ethanoyl]sulfamate

1-[(2,6-DIISOPROPYLPHENOXYSULFONYL)AMINO]-2-(2,4,6-TRIISOPROPYLPHENYL)ETHANONE

2,6-bis(1-methylethyl)phenyl ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamate

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

2,6-Diisopropylphenyl ((2,4,6-triisopropylphenyl)acetyl)sulfamate

2,6-diisopropylphenyl (2-(2,4,6-triisopropylphenyl)-acetyl)sulfamate

2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)acetyl)sulfamate

2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)acetylsulfamate

92829-12-4 [RN]

avasimiba

Avasimibe (USAN/INN)

avasimibum

Benzeneacetamide, N-((2,6-bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-

C423185

CI-1011; PD 148515; [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid

N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)benzeneacetamide

N-[1-oxo-2-(2,4,6-triisopropylphenyl)ethyl]sulfamic acid (2,6-diisopropylphenyl) ester

N-[1-oxo-2-[2,4,6-tri(propan-2-yl)phenyl]ethyl]sulfamic acid [2,6-di(propan-2-yl)phenyl] ester

N-[2-(2,4,6-triisopropylphenyl)acetyl]sulfamic acid (2,6-diisopropylphenyl) ester

UNII:28LQ20T5RC

UNII-28LQ20T5RC

авасимиб [Russian]

أفاسيميب [Arabic]

阿伐麦布 [Chinese]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7792 [DBID]

CI-1011 [DBID]

CI 1011 [DBID]

D03012 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Solubility:
  
  Soluble to 100 mM in DMSO and to 20 mM in ethanol Tocris Bioscience 6505
Miscellaneous
- Target Organs:
  
  CYP inhibitor TargetMol T2753
- Bio Activity:
  
  CYP2C9;CYP1A2; CYP2C19 TargetMol T2753
  
  Metabolism TargetMol T2753

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.1±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.529
Molar Refractivity:	144.4±0.4 cm³
#H bond acceptors:	5
#H bond donors:	1
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	2

ACD/LogP:	9.34
ACD/LogD (pH 5.5):	5.78
ACD/BCF (pH 5.5):	4823.86
ACD/KOC (pH 5.5):	4105.17
ACD/LogD (pH 7.4):	5.76
ACD/BCF (pH 7.4):	4687.52
ACD/KOC (pH 7.4):	3989.14
Polar Surface Area:	81 Å²
Polarizability:	57.2±0.5 10^-24cm³
Surface Tension:	38.7±3.0 dyne/cm
Molar Volume:	468.0±3.0 cm³

Click to predict properties on the Chemicalize site

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Avasimibe

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Experimental Solubility:

Target Organs:

Bio Activity:

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