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FBPase-1 inhibitor-1

CAT: 0957-E2846-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E2846-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
883973-99-7
Target
Carbohydrate Metabolism
Applications
Metabolism
Smiles
ClC1=CC=C2OC (=NC2=C1) N[S; v6] (=O) (=O) C3=C (Cl) C=CC (=C3) Cl
Molecular Formula
C13H7Cl3N2O3S
Additionnal Information
FBPase-1 inhibitor-1, an allosteric inhibitor of fructose-1,6-bisphosphatase (FBPase-1), exhibits similar potency (IC50 = 3.4 μM using MG; = 4.0 μM in the coupled format) in these two distinct assays of FBPase-1 activity.
Storage Conditions
3 years -20°C powder

Chemical Information

2,5-Dichloro-N-(5-chloro-1,3-benzoxazol-2-YL)benzenesulfonamide
CAS Number883973-99-7
PubChem CID6102820
IUPAC Name2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
Molecular FormulaC13H7Cl3N2O3S
Molecular Weight377.6
XLogP4.5
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity501
SMILES
C1=CC2=C(C=C1Cl)N=C(O2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
InChIKey
JCXZHFCBNFFHRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichloro-N-(5-chloro-1,3-benzoxazol-2-YL)benzenesulfonamide
CAS: 883973-99-7
CID: 6102820
Formula: C13H7Cl3N2O3S
MW: 377.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass375.924296
Monoisotopic Mass375.924296
Topological Polar Surface Area80.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes