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KOTX1

CAT: 0013-GTR19241456-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241456-02Size:50 mg
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Description
KOTX1 is a selective, orally bioavailable ALDH1A3 inhibitor. Research demonstrates its utility in diabetes studies, where it enhances glucose tolerance and insulin secretion in mouse models, supporting investigations into metabolic disease mechanisms.
CAS Number
1788963-83-6
Field of Research
Metabolism Research
Smiles
O=C (NC=1C=C2C (=CC1F) NC (=O) CC2) C=3C=CN=CC3CC
Molecular Formula
C17H16FN3O2
Molecular Weight
313.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-ethyl-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
CAS Number1788963-83-6
PubChem CID86801883
IUPAC Name3-ethyl-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
Molecular FormulaC17H16FN3O2
Molecular Weight313.33
XLogP1.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity459
SMILES
CCC1=C(C=CN=C1)C(=O)NC2=C(C=C3C(=C2)CCC(=O)N3)F
InChI
InChI=1S/C17H16FN3O2/c1-2-10-9-19-6-5-12(10)17(23)21-15-7-11-3-4-16(22)20-14(11)8-13(15)18/h5-9H,2-4H2,1H3,(H,20,22)(H,21,23)
InChIKey
QJJWNFKDFKNPEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-ethyl-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
CAS: 1788963-83-6
CID: 86801883
Formula: C17H16FN3O2
MW: 313.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.33
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass313.12265492
Monoisotopic Mass313.12265492
Topological Polar Surface Area71.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity459
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

Alternative Products

CatalogName
T203191-01KOTX1

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