MK-0429 - Moligand™,≥98% , CAS No.227963-15-7

CAS: 227963-15-7 Cat. No.: M648007 Peso molecular: 439.51 Número EC: 836-017-2 PubChem CID: 9853559

GRADE & PURITY Moligand™, ≥98%

Synonyms

MK0429 | MK-0429 | (S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid | UNII-1JL033A2D0 | Q27252505 | J1.969.455K | DTXSID901347137 | Alpha-V Beta-3 Antagonist | BDBM50134778

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MK-0429 (L-000845704) is a potent, selective and nonpeptide pan-integrin antagonist with IC50 values of 1.6 nM, 2.8 nM, 0.1 nM, 0.7 nM, 0.5 nM and 12.2 nM for αvβ1, αvβ3, αvβ5, αvβ6, αvβ8 and α5β1, respectively；

Specifications

Sinónimos

MK0429 | MK-0429 | (S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5, 6, 7, 8-tetrahydro-[1, 8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid | UNII-1JL033A2D0 | Q27252505 | J1.969.455K | DTXSID901347137 | Alpha-V Beta-3 Antagonist | BDBM50134778

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=NC=C(C=C1)C(CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3
• IUPAC Name: (3S)-3-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
• InChIKey: HGFOOLONGOBCMP-IBGZPJMESA-N
• INCHI: 1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1
• Isómeros SMILES: COC1=NC=C(C=C1)[C@H](CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3
• CAS alternativo: 227963-15-7
• PubChem CID: 9853559
• Términos de entrada MeSH: 3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro(1,8)naphthyridin-2-yl)propyl)imidazolidin-1-yl)propionic acid;3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-(1,8)naphthyridin-2-yl)propyl)imidazolidin-1-yl)propionic acid;L-00084570
• Peso molecular: 439.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Imidolactams Imidazolidinones Heteroaromatic compounds Ureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Alkyl aryl ether - Imidazolidinone - Pyridine - Imidolactam - Imidazolidine - Heteroaromatic compound - Urea - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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

Objetivos asociados (humanos)

ITGAV Tchem Integrin alpha-V (0 Activities)

Discover Target: ITGAV

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

Homo sapiens (32628 Activities)

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

ITGB3 Tclin Integrin alpha-V/beta-3 (2708 Activities)

Discover Target: ITGB3

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

ITGB3 Tclin Integrin alpha-IIb/beta-3 (3481 Activities)

Discover Target: ITGB3

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

ITGB1 Tclin Integrin alpha-5/beta-1 (686 Activities)

Discover Target: ITGB1

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

Objetivos asociados (no humanos)

Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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Rhesus monkey (3147 Activities)

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Plasma (328 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (227.53 mM; Need ultrasonic) H2O : 2.78 mg/mL (6.33 mM; Need ultrasonic)
• Peso molecular: 439.500 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 439.222 Da
• Monoisotopic Mass: 439.222 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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