Basic information
- CAS
405911-09-3- Standard SMILES
O=C([O-])Cc1cccc(OCCC[NH+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1- InChIKey
NAXSRXHZFIBFMI-UHFFFAOYSA-N- Molecular formula
- C33H31ClF3NO3
- Average molar mass
- 582 g/mol
- Monoisotopic mass
- 581.194456
Overview
GW-3965 is a liver X receptor ligand.
Names & identifiers
- Preferred name
- 2-[3-[3-[[2-Chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)azaniumyl]propoxy]phenyl]acetate
- IUPAC
- 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)azaniumyl]propoxy]phenyl]acetate
- English name
- 3-[3-[N-(2-Chloro-3-trifluoromethylbenzyl)-(2,2-diphenylethyl)amino]propyloxy]phenylacetic acid hydrochloride
- Molecular formula
- C33H31ClF3NO3
- Molecular weight
- 582.05
Names & synonyms
3ipq2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)azaniumyl]propoxy]phenyl]acetateGW3965GW 3965 HYDROCHLORIDECS-1391GW3965 (GW 39652-(3-(3-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)-amino)propoxy)phenyl)acetic a2-(3-(3-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)-amino)propoxy)phenyl)acetic acidBenzeneacetic acid,3-[3-[[[2-chloro-3-(trifluoromethyl)phenyl]methyl](2,2-diphenylethyl)amino]propoxy]-3-[3-[N-(2-Chloro-3-trifluoromethylbenzyl)-(2,2-diphenylethyl)amino]propyloxy]phenylacetic acid hydrochloride3-[3-[n-(2-chloro-3-trifluoroMethylbenzyl)-(2,2-diphenylethyl)aMino]propvloxy]phenylacetic acid hydrochloride3-[3-[[[2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]METHYL](2,2-DIPHENYLETHYL)AMINO]PROPOXY]BENZENEACETIC ACID HYDROCHLORIDE
Database identifiers
- CAS
405911-09-3- PubChem CID
- 72199895
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 748
Physicochemical properties
- Melting point
- 174 · 174-179°C
- Boiling point
- 672.4 · 672.4±55.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.18 · 4.18±0.10(Predicted)
- color
- White to Off-White
- FDA UNII
- 6 JI5YOG7RC · 6JI5YOG7RC
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H413
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P312+P330-P305+P351+P338+P310-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H318-H413
- Precautionary statements
- P264-P270-P273-P280-P301+P312+P330-P305+P351+P338+P310-P501
Chemistry & industry
Applications
UsesGW3965 can be used in biological study of effect of liver X receptor agonists, T0901317 and GW3965 treatment on cholesterol efflux and apoptosis in human CAL-1 and GEN2.2 blastic plasmacytoid dendritic cell neoplasm cells.
Suppliers37 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
上海遐瑞医药科技有限公司+86 21 61551611
上海石洋化工有限公司021-56795766 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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