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BMS-823778

CAT: 1410-M10497-01Size: 1 EachDry Ice: NoHazardous: No
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Description
BMS-823778 (BMS823778) is an orally available, potent and selective inhibitor of 11βHSD-1 with IC50 of 2.3 nM.
CAS Number
1140898-87-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
364.27
Molecular Formula
C18H18ClN3O · HCl
Notes
Research use only, not for human use.
Receptor
11β-HSD

Chemical Information

Bms-823778

an inhibitor of 11beta-hydroxysteroid dehydrogenase type 1; structure in first source

CAS Number1140898-87-8
PubChem CID54669979
IUPAC Name2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;hydrochloride
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.3
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity446
SMILES
CC(C)(C1=CC=CN2C1=NN=C2C3(CC3)C4=CC=C(C=C4)Cl)O.Cl
InChI
InChI=1S/C18H18ClN3O.ClH/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12;/h3-8,11,23H,9-10H2,1-2H3;1H
InChIKey
MQBBSMNIRWXALO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-823778
CAS: 1140898-87-8
CID: 54669979
Formula: C18H19Cl2N3O
MW: 364.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass363.0905176
Monoisotopic Mass363.0905176
Topological Polar Surface Area50.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5813932BMS-823778
TRC-B216170-250MGBMS 823778 Hydrochloride
MBS5814703BMS-823778 hydrochloride
HY-120643BMS-823778 (hydrochloride)
MBS3600496-01BMS-823778 free base
MBS386661-01BMS-806 (BMS 378806)
A11201-2BMS-806 (BMS 378806) 2mg
A11201-1BMS-806 (BMS 378806) 1mg
A11201-25BMS-806 (BMS 378806) 25mg
A11201-500BMS-806 (BMS 378806) 500mg

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