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Evogliptin (hydrochloride)

CAT: 0804-HY-117985ASize: 1 EachDry Ice: NoHazardous: No
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Description
Evogliptin hydrochloride (DA-1229 hydrochloride) is an orally available DPP4 inhibitor with significant and durable hypoglycemic effects in mouse models. Evogliptin hydrochloride also inhibits the generation of inflammatory and fibrotic signals in hepatocytes by inducing autophagy. Evogliptin hydrochloride can be used in the research of type 2 diabetes, osteoporosis, renal impairment and chronic liver inflammation[1].
CAS Number
1246960-27-9
Product Name Alternative
DA-1229 (hydrochloride)
UNSPSC
12352005
Target
Dipeptidyl Peptidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/evogliptin-hydrochloride.html
Smiles
O=C1NCCN([C@@H]1COC(C)(C)C)C(C[C@@H](CC2=CC(F)=C(C=C2F)F)N)=O.Cl
Molecular Formula
C19H27ClF3N3O3
Molecular Weight
437.88
References & Citations
[1]Kim M K, et al. Prevention and treatment effect of evogliptin on hepatic steatosis in high-fat-fed animal models[J]. Archives of pharmacal research, 2017, 40 (2) : 268-281.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 4

Chemical Information

Evogliptin HCl
CAS Number1246960-27-9
PubChem CID25022353
IUPAC Name(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one;hydrochloride
Molecular FormulaC19H27ClF3N3O3
Molecular Weight437.9
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity558
SMILES
CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N.Cl
InChI
InChI=1S/C19H26F3N3O3.ClH/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20;/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27);1H/t12-,16-;/m1./s1
InChIKey
QHQXWMKKQNSBTC-VQZRABBESA-N
Chemical Structure
2D Structure
2D structure of Evogliptin HCl
CAS: 1246960-27-9
CID: 25022353
Formula: C19H27ClF3N3O3
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass437.1693039
Monoisotopic Mass437.1693039
Topological Polar Surface Area84.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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