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BCAT-IN-2

CAT: 1410-M34798-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M34798-02Size:1 mL x 10 mM in DMSO
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Description
BCAT-IN-2 is an orally active and selective inhibitor of mitochondrial branched-chain aminotransferase (BCATm), inhibits BCATm and BCATc, and is used in obesity and dyslipidemia.
CAS Number
1800024-45-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
377.776
Molecular Formula
C17H14ClF2N5O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Bcat-IN-2
CAS Number1800024-45-6
PubChem CID78319104
IUPAC Name2-[(4-chloro-2,6-difluorophenyl)methylamino]-7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Molecular FormulaC17H14ClF2N5O
Molecular Weight377.8
XLogP3.8
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity729
SMILES
CCCC1=CC(=O)N2C(=N1)C(=C(N2)NCC3=C(C=C(C=C3F)Cl)F)C#N
InChI
InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,22,24H,2-3,8H2,1H3
InChIKey
URTVEMYYYIZBNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcat-IN-2
CAS: 1800024-45-6
CID: 78319104
Formula: C17H14ClF2N5O
MW: 377.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.8
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass377.0854941
Monoisotopic Mass377.0854941
Topological Polar Surface Area80.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity729
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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