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Glucokinase
Dorzagliatin - 10mM in DMSO, high purity , CAS No.1191995-00-2, Allosteric modulator of Glucokinase

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Dorzagliatin - 10mM in DMSO, high purity , CAS No.1191995-00-2, Allosteric modulator of Glucokinase

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 1191995-00-2
Molecular Weight: 462.93
PubChem CID: 57920094

In stock

Item Number

D420852

Grouped product items
SKU	Size	Availability	Price	Qty
D420852-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Carbohydrate Metabolism Activators

View related series

Compound libraries (12325) Glucose Metabolism (1943)

Basic Description

Synonyms	HY-109030 \| AKOS030527745 \| Sinogliatin \| (2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide \| MFCD22376579 \| 1191995-00-2 \| BD167920 \| DB15123 \| HMS5552 \| HMS-5552 \| KBioSS_000661 \| (S)-2-(4
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	Dorzagliatin (HMS-5552, RO-5305552, Sinogliatin) is a dual-acting glucokinase (GK) activator that improves glycaemic control and pancreatic β-cell function in patients with type 2 diabetes.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of Glucokinase
Product Description	Information Dorzagliatin Dorzagliatin (HMS-5552, RO-5305552, Sinogliatin) is a dual-acting glucokinase (GK) activator that improves glycaemic control and pancreatic β-cell function in patients with type 2 diabetes. Targets glucokinase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Leucine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Leucine and derivatives
Alternative Parents	N-arylamides Phenoxy compounds Chlorobenzenes Aryl chlorides Fatty amides Imidolactams Vinylogous esters Tertiary carboxylic acid amides Heteroaromatic compounds Pyrrolines Pyrazoles Secondary alcohols Lactams Secondary carboxylic acid amides Tertiary amines 1,2-diols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Leucine or derivatives - Phenoxy compound - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Pyrroline - Tertiary carboxylic acid amide - Vinylogous ester - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-diol - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organochloride - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	2.366
hba_count	4
HBD Count	3
Rotatable Bond	10

Associated Targets(Human)

GCK Tchem Glucokinase (0 Activities)

Discover Target: GCK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	(2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-4-methylpentanamide
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
Smiles	CC(C)CC(C(=O)NC1=NN(C=C1)CC(CO)O)N2CC(=CC2=O)OC3=CC=CC=C3Cl
Isomeric SMILES	CC(C)C[C@@H](C(=O)NC1=NN(C=C1)C[C@H](CO)O)N2CC(=CC2=O)OC3=CC=CC=C3Cl
Alternate CAS	1191995-00-2
MeSH Entry Terms	(2S)-2-(4-(2-Chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(1-((2R)-2,3-dihydroxypropyl)-1H-pyrazol-3-yl)-4-methylpentanamide;Dorzagliatin;HMS5552;sinogliatin
Molecular Weight	462.93
Reaxy-Rn	19545796
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19545796&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	92
DMSO(mM) Max Solubility	198.734149871471
Water(mg / mL) Max Solubility	＜1
Molecular Weight	462.900 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	462.167 Da
Monoisotopic Mass	462.167 Da
Topological Polar Surface Area	117.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	691.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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