LY2608204 - ≥99% , Hexokinase type IV activator, CAS No.1234703-40-2, Hexokinase type IV activator

CAS: 1234703-40-2 Cat. No.: L124855 Molecular Weight: 559.81

GRADE & PURITY ≥99%

Synonyms

HY-13529 | J-690089 | J7.003C | EX-A158 | CCG-270044 | GLOBALAGLIATIN [WHO-DD] | LY2608204 | LY-2608204 | AS-75181 | SY-004 | (1R,2S)-2-cyclohexyl-1-[4-(cyclopropanesulfonyl)phenyl]-N-(5-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropane-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LY2608204 activates glucokinase (GK) with EC50 of 42 nM. Phase 2.

Specifications

Synonyms

HY-13529 | J-690089 | J7.003C | EX-A158 | CCG-270044 | GLOBALAGLIATIN [WHO-DD] | LY2608204 | LY-2608204 | AS-75181 | SY-004 | (1R, 2S)-2-cyclohexyl-1-[4-(cyclopropanesulfonyl)phenyl]-N-(5-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1, 3-thiazol-2-yl)cyclopropane-1

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Mechanism of action

Hexokinase type IV activator

Purity

≥99%

Product Properties

• ALogP: 6.2

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)C2CC2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6
• IUPAC Name: (1R,2S)-2-cyclohexyl-1-(4-cyclopropylsulfonylphenyl)-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• InChIKey: QIIVJLHCZUTGSD-CUBQBAPOSA-N
• INCHI: 1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1
• Isomeric SMILES: C1CCC(CC1)[C@@H]2C[C@@]2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6
• Molecular Weight: 559.81
• Reaxy-Rn: 20420503
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20420503&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Benzenesulfonyl compounds N-arylamides 2,5-disubstituted thiazoles Alkylarylthioethers Cyclopropanecarboxylic acids and derivatives N-alkylpyrrolidines Sulfones Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - Benzenesulfonyl group - Aryl thioether - N-arylamide - 2,5-disubstituted 1,3-thiazole - Alkylarylthioether - Cyclopropanecarboxylic acid or derivatives - N-alkylpyrrolidine - Azole - Pyrrolidine - Sulfone - Sulfonyl - Thiazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Thioether - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• External Descriptors: Not available

Data sources

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 25°C: DMSO 112 mg/mL (200.06 mM); Water <1 mg/mL (<1 mM); Ethanol 35 mg/mL (62.52 mM)
• Molecular Weight: 559.800 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 559.2 Da
• Monoisotopic Mass: 559.2 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 903.000
• 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