MK-6892 - Moligand™, ≥98% , Agonist of HCA 2 receptor, CAS No.917910-45-3, Agonist of HCA 2 receptor

CAS: 917910-45-3 Cat. No.: M126295 Summenformel: C₁₉H₂₂N₄O₅ Molekulargewicht: 386.4

GRADE & PURITY Moligand™, ≥98%

Synonyms

Q27086871 | AS-32919 | 2-({3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl}-amino)cyclohex-1-ene-1-carboxylic acid | 2-[[3-[3-(5-Hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

anwendung：

Beschreibung: IC50-Wert: 4.0 nM (Ki für Human GPR109A) MK-6892 ist ein hochpotenter GPR109A-Agonist. in vitro: . Trotz der erhöhten Serumverschiebung dieser Verbindungen war der Vertreter 1e hochwirksam. Darüber hinaus hatten diese Verbindungen keine Wirkung auf GPR109B und GPR81, die beiden am engsten verwandten GPCRs mit ?96 % bzw. 50 % Sequenzidentität zu GPR109A. in vivo: NA oder MK-6892 wurde oral an WT- oder NA-Rezeptor-Null-Mäuse auf dem gleichen genetischen Hintergrund C57Bl/6 verabreicht. Nach einer 15-minütigen Verabreichung von 100 mpk NA oder MK-6892 an gefütterte WT- oder NA-Rezeptor-Null-Mäuse betrugen die Blutspiegel von MK-6892 nach 15 Minuten 229 μM (?950-fach höher als die im Maus-NA-Rezeptor-GTPγS-Assay ermittelte In-vitro-EC50, die 240 nM beträgt) bei WT-Mäusen und 148 μM (?620-fach höher als die In-vitro-EC50) bei NA-Rezeptor-Null-Mäusen. Klinische Studie: N/A

Specifications

Synonyme

Q27086871 | AS-32919 | 2-({3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl}-amino)cyclohex-1-ene-1-carboxylic acid | 2-[[3-[3-(5-Hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Beschreibung:
IC50-Wert: 4.0 nM (Ki für humanes GPR109A) [1]
MK-6892 ist ein hochpotenter GPR109A-Agonist.
in vitro: . Trotz der erhöhten Serumverschiebung dieser Verbindungen war der Vertreter 1e hochwirksam. Außerdem

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of HCA 2 receptor

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504773295
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773295
• Kanonisches Lächeln: CC(C)(CC1=NC(=NO1)C2=NC=C(C=C2)O)C(=O)NC3=C(CCCC3)C(=O)O
• IUPAC Name: 2-[[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid
• InChIKey: CJHXBFSJXDUJHP-UHFFFAOYSA-N
• INCHI: 1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
• Isomere SMILES: CC(C)(CC1=NC(=NO1)C2=NC=C(C=C2)O)C(=O)NC3=C(CCCC3)C(=O)O
• Molekulargewicht: 386.4
• Reaxy-Rn: 12774525
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12774525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Hydroxypyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Fatty amides Vinylogous amides Heteroaromatic compounds 1,2,4-oxadiazoles Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Fatty amide - Fatty acyl - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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

Zugehörige Ziele (menschlich)

HCAR2 Tclin Hydroxycarboxylic acid receptor 2 (4 Activities)

Discover Target: HCAR2

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

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

Discover Target: CYP2C8

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HCAR3 Tchem HM74 nicotinic acid GPCR (353 Activities)

Discover Target: HCAR3

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

HCAR1 Tchem G-protein coupled receptor 81 (382 Activities)

Discover Target: HCAR1

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

Zugehörige Ziele (nicht menschlich)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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

Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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

Rhesus monkey (3147 Activities)

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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

Blood (6 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 25°C: DMSO
• Molekulargewicht: 386.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 386.159 Da
• Monoisotopic Mass: 386.159 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 636.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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