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BCAT-IN-4

CAT: 0013-GTR19219600-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219600-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BCAT-IN-4 is a potent and selective inhibitor of human branched-chain amino acid aminotransferase (hBCATc), exhibiting an IC50 of 2.35 μM. This compound demonstrates anticancer activity and is a useful tool for investigating pancreatic ductal adenocarcinoma in both cellular and animal model studies.
CAS Number
406190-85-0
Product Name Alternative
BCATIN4, BCAT
Purity
98.79% (May vary between batches)
Solubility
DMSO:50 mg/mL (136.47 mM)
Smiles
O=C (NNS (=O) (=O) C=1C=CC=CC1) C=2C=CC=3OC=4C=CC=CC4C3C2
Molecular Formula
C19H14N2O4S
Molecular Weight
366.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bcat-IN-4
CAS Number406190-85-0
PubChem CID10270253
IUPAC NameN'-(benzenesulfonyl)dibenzofuran-2-carbohydrazide
Molecular FormulaC19H14N2O4S
Molecular Weight366.4
XLogP3.8
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity612
SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43
InChI
InChI=1S/C19H14N2O4S/c22-19(20-21-26(23,24)14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)25-18/h1-12,21H,(H,20,22)
InChIKey
JAPUVWLLWGHBIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcat-IN-4
CAS: 406190-85-0
CID: 10270253
Formula: C19H14N2O4S
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass366.06742811
Monoisotopic Mass366.06742811
Topological Polar Surface Area96.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity612
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

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