BMS-823778 hydrochloride

CAT: 0931-T72249-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T72249-01Size:25 mg

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CAS Number

1140898-87-8

Target

Others, Dehydrogenase

Related Pathways

Metabolism, Others

Bioactivity

BMS-823778 hydrochloride is a potent, selective, and orally active inhibitor of 11β-HSD1 (11β-Hydroxysteroid Dehydrogenase Type 1), with an IC50 (half maximal inhibitory concentration) of 2.3 nM against the human enzyme.

Smiles

Cl.ClC1=CC=C(C=C1)C2(C3=NN=C4C(=CC=CN43)C(O)(C)C)CC2

Molecular Formula

C18H19Cl2N3O

Molecular Weight

364.27

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Bms-823778

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

CAS Number	1140898-87-8
PubChem CID	54669979
IUPAC Name	2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;hydrochloride
Molecular Formula	C18H19Cl2N3O
Molecular Weight	364.3
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	446

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

CAS: 1140898-87-8

CID: 54669979

Formula: C18H19Cl2N3O

MW: 364.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	364.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	363.0905176
Monoisotopic Mass	363.0905176
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	446
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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BMS-823778 hydrochloride

Chemical Information

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