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BVT-2733 hydrochloride

CAT: 0931-T203621-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203621-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
376641-65-5
Target
Others, Dehydrogenase
Related Pathways
Others, Metabolism
Bioactivity
BVT-2733 hydrochloride is a potent, selective, and orally active non-steroidal 11β-HSD1 inhibitor. It exhibits stronger inhibition on mouse 11β-HSD1 enzyme (IC50=96 nM) compared to the human 11β-HSD1 enzyme (IC50=3341 nM) . BVT-2733 hydrochloride shows potential for research in arthritis and obesity-related diseases.
Smiles
Cl.O=C(N1CCN(C)CC1)CC=2N=C(SC2)NS(=O)(=O)C=3C=CC=C(Cl)C3C
Molecular Formula
C17H22Cl2N4O3S2
Molecular Weight
465.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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