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Dorzagliatin 25mg

CAT: 0628-A22297-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A22297-25Size:25 mg
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CAS Number
1191995-00-2

Chemical Information

Dorzagliatin

Dorzagliatin is a secondary carboxamide resulting from the formal condensation of the carboxy group of (2S)-2-[4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methylpentanoic acid with the amino group of (2R)-3-(3-amino-1H-pyrrol-1-yl)propane-1,2-diol. It is an allosteric glucokinase activator developed by Hua Medicine for the treatment of type 1 and 2 diabetes mellitus , and diabetic kidney disease. It has a role as an enzyme activator and a hypoglycemic agent. It is a secondary carboxamide, a primary alcohol, a pyrroline, a diol, a member of pyrazoles, an aromatic ether, a secondary alcohol, a tertiary amino compound, an enone and a member of monochlorobenzenes.

CAS Number1191995-00-2
PubChem CID57920094
IUPAC Name(2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
Molecular FormulaC22H27ClN4O5
Molecular Weight462.9
XLogP1.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity691
SMILES
CC(C)C[C@@H](C(=O)NC1=NN(C=C1)C[C@H](CO)O)N2CC(=CC2=O)OC3=CC=CC=C3Cl
InChI
InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1
InChIKey
HMUMWSORCUWQJO-QAPCUYQASA-N
Chemical Structure
2D Structure
2D structure of Dorzagliatin
CAS: 1191995-00-2
CID: 57920094
Formula: C22H27ClN4O5
MW: 462.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight462.9
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass462.1669977
Monoisotopic Mass462.1669977
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes