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 Number	1191995-00-2
PubChem CID	57920094
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 Formula	C22H27ClN4O5
Molecular Weight	462.9
XLogP	1.6
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	32
Formal Charge	0
Complexity	691

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

CAS: 1191995-00-2

CID: 57920094

Formula: C22H27ClN4O5

MW: 462.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	462.9
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	462.1669977
Monoisotopic Mass	462.1669977
Topological Polar Surface Area	117 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	691
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Dorzagliatin 25mg

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