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

CAS: 1234703-40-2 Cat. No.: L124855 Fórmula: C₂₈H₃₇N₃O₃S₃ Peso molecular: 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

Visão geral

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

Specifications

Sinónimos

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

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ACTIVATOR

Mecanismo de ação

Hexokinase type IV activator

Pureza

≥99%

Propriedades do produto

• ALogP: 6.2

Nomes e identificadores

• Pubchem Sid: 528765340
• Sorrisos canónicos: 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
• SMILES isoméricas: C1CCC(CC1)[C@@H]2C[C@@]2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6
• Peso molecular: 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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 25°C: DMSO 112 mg/mL (200.06 mM); Water <1 mg/mL (<1 mM); Ethanol 35 mg/mL (62.52 mM)
• Peso molecular: 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