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Fotagliptin

CAT: 0804-HY-123377-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123377-01Size:5 mg
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Description
Fotagliptin is a Dipeptidyl Peptidase IV (DPP-4) inhibitor (IC50=2.27 nM) . Fotagliptin displays great security in rat and dog. Fotagliptin can be used for Type 2 diabetes mellitus research[1].
CAS Number
1312954-58-7
Product Name Alternative
SAL067 (free base)
UNSPSC
12352005
Target
Dipeptidyl Peptidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/fotagliptin.html
Purity
99.05
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C1=O)=NN=C(N2C[C@@H](CCC2)N)N1CC3=C(C=CC(F)=C3)C#N
Molecular Formula
C17H19FN6O
Molecular Weight
342.37
References & Citations
[1]Wang Z, et al. Development and validation of a UPLC-MS/MS method for simultaneous determination of fotagliptin and its two major metabolites in human plasma and urine. Bioanalysis. 2017 Feb;9 (4) :381-393.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
DPP-4

Chemical Information

Fotagliptin
CAS Number1312954-58-7
PubChem CID53258570
IUPAC Name2-[[3-[(3R)-3-aminopiperidin-1-yl]-6-methyl-5-oxo-1,2,4-triazin-4-yl]methyl]-4-fluorobenzonitrile
Molecular FormulaC17H19FN6O
Molecular Weight342.4
XLogP0.4
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity638
SMILES
CC1=NN=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N
InChI
InChI=1S/C17H19FN6O/c1-11-16(25)24(9-13-7-14(18)5-4-12(13)8-19)17(22-21-11)23-6-2-3-15(20)10-23/h4-5,7,15H,2-3,6,9-10,20H2,1H3/t15-/m1/s1
InChIKey
IXSWMXRAIPXMRH-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Fotagliptin
CAS: 1312954-58-7
CID: 53258570
Formula: C17H19FN6O
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass342.16043741
Monoisotopic Mass342.16043741
Topological Polar Surface Area98.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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