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BVT-2733 (hydrochloride)

CAT: 0804-HY-18054ASize: 1 EachDry Ice: NoHazardous: No
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Description
BVT-2733 hydrochloride is a potent, selective and orally active nonsteroidal 11β-HSD1 inhibitor. BVT-2733 hydrochloride is more potent against mouse 11β-HSD1 enzyme (IC50=96 nM) than against human 11β-HSD1 enzyme (IC50=3341 nM) . BVT-2733 hydrochloride has the potential to be used in the study of arthritis and obesity-related diseases[1][2][3].
CAS Number
376641-65-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
11β-HSD
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
O=S(C1=CC=CC(Cl)=C1C)(NC2=NC(CC(N3CCN(C)CC3)=O)=CS2)=O.Cl
Molecular Formula
C17H22Cl2N4O3S2
Molecular Weight
465.42
Precautions
P261-P280-P302+P352
References & Citations
[1]11β-hydroxydehydrogenase 1 (11β-HSD1) Inhibitor in Development|[2]Zhang L, et al. 11β-Hydroxysteroid dehydrogenase 1 inhibition attenuates collagen-induced arthritis. Int Immunopharmacol. 2013 Nov;17 (3) :489-94.|[3]Wang L, et al. BVT.2733, a selective 11β-hydroxysteroid dehydrogenase type 1 inhibitor, attenuates obesity and inflammation in diet-induced obese mice. PLoS One. 2012;7 (7) :e40056.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

BVT 2733 hydrochloride
CAS Number376641-65-5
PubChem CID6918650
IUPAC Name3-chloro-2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride
Molecular FormulaC17H22Cl2N4O3S2
Molecular Weight465.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity622
SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C.Cl
InChI
InChI=1S/C17H21ClN4O3S2.ClH/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22;/h3-5,11H,6-10H2,1-2H3,(H,19,20);1H
InChIKey
VQQOVTXLJDVTLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BVT 2733 hydrochloride
CAS: 376641-65-5
CID: 6918650
Formula: C17H22Cl2N4O3S2
MW: 465.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass464.0510383
Monoisotopic Mass464.0510383
Topological Polar Surface Area119 Ų
Heavy Atom Count28
Formal Charge0
Complexity622
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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