GKA 50 - ≥98%(HPLC) , CAS No.851884-87-2

CAS: 851884-87-2 Cat. No.: G287266 Fórmula: C₂₆H₂₈N₂O₆ Peso molecular: 464.51 Número CE: 804-711-4 PubChem CID: 11340230

GRADE & PURITY Moligand™, ≥98%

Synonyms

GKA 50;GKA50 | 6-((3-((1S)-2-Methoxy-1-methylethoxy)-5-((1S)-1-methyl-2-phenylethoxy)benzoyl)amino)-3-pyridinecarboxylic acid | GKA50 | GKA-50 | NCGC00387236-02 | 6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenylpropan-2-yloxy)benzamido)nicotinic acid |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

GKA 50;GKA50 | 6-((3-((1S)-2-Methoxy-1-methylethoxy)-5-((1S)-1-methyl-2-phenylethoxy)benzoyl)amino)-3-pyridinecarboxylic acid | GKA50 | GKA-50 | NCGC00387236-02 | 6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenylpropan-2-yloxy)benzamido)nicotinic acid |

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Potent glucokinase activator (EC50= 33 nM). Significantly reduces plasma glucose levels in diabetic rats; stimulates insulin release from mouse islets of Langerhans.

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.

Grau

Moligand™

Tipo de ação

ACTIVATOR

Pureza

≥98%

Product Line

G287266-1mg

Nomes e identificadores

Sorrisos canónicos

CC(CC1=CC=CC=C1)OC2=CC(=CC(=C2)C(=O)NC3=NC=C(C=C3)C(=O)O)OC(C)COC

IUPAC Name

6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2S)-1-phenylpropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

InChIKey

OCBMECSFDVUYQN-ROUUACIJSA-N

INCHI

1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1

SMILES isoméricas

C[C@@H](CC1=CC=CC=C1)OC2=CC(=CC(=C2)C(=O)NC3=NC=C(C=C3)C(=O)O)O[C@@H](C)COC

PubChem CID

11340230

Peso molecular

464.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Phenylpropanes Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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 (humanos)

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

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

RARG Tclin Retinoic acid receptor gamma (1154 Activities)

Discover Target: RARG

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

RARB Tclin Retinoic acid receptor beta (1232 Activities)

Discover Target: RARB

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

Homo sapiens (32628 Activities)

Explore this target

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

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

Gck Hexokinase type IV (278 Activities)

Discover Target: Gck

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

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Plasma (328 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 46.45, Max Conc. mM: 100
• Peso molecular: 464.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 464.195 Da
• Monoisotopic Mass: 464.195 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 641.000
• 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

Perguntas frequentes

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 851884-87-2, the molecular formula is C26H28N2O6, and the molecular weight is 464.51 g/mol. InChIKey OCBMECSFDVUYQN-ROUUACIJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.