GSA10 - Moligand™, ≥96% , Allosteric modulator of SMO, CAS No.300833-95-8, Allosteric modulator of SMO

CAS: 300833-95-8 Cat. No.: G275761 Peso molecular: 450.53 Número EC: 808-811-9

GRADE & PURITY Moligand™, ≥96%

Synonyms

AS-16537 | AKOS000624567 | GTPL10326 | GSA 10; GSA-10 | J-017772 | STK034810 | 4-[[(1-Hexyl-1,2-dihydro-2-oxo-3-quinolinyl)carbonyl]amino]benzoic acid propyl ester | F82046 | AG-690/11765216 | propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Shipped at room temperature. Store at -20°C.

Specifications

Sinónimos

AS-16537 | AKOS000624567 | GTPL10326 | GSA 10; GSA-10 | J-017772 | STK034810 | 4-[[(1-Hexyl-1, 2-dihydro-2-oxo-3-quinolinyl)carbonyl]amino]benzoic acid propyl ester | F82046 | AG-690/11765216 | propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]b

Especificaciones y pureza

Moligand™, ≥96%

Mecanismos bioquímicos y fisiológicos

A novel small-molecule Smo receptor agonist. Does not recognize the classic cyclopamine binding site.\xa0May have therapeutic interests in regenerative medicine.

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

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of SMO

Nota

Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OCCC)O
• IUPAC Name: propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
• InChIKey: MDLUYYGRCGDKGL-UHFFFAOYSA-N
• INCHI: 1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)
• Isómeros SMILES: CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OCCC)O
• CAS alternativo: 300833-95-8
• Peso molecular: 450.53
• Reaxy-Rn: 23682377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23682377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Quinoline-3-carboxamides Hydroxyquinolines Hydroquinolones Hydroquinolines Benzoic acid esters Pyridinecarboxylic acids and derivatives Benzoyl derivatives Pyridinones Hydroxypyridines Vinylogous amides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Quinoline-3-carboxamide - Hydroxyquinoline - Dihydroquinolone - Quinoline - Dihydroquinoline - Benzoate ester - Pyridine carboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Hydroxypyridine - Pyridinone - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Secondary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Objetivos asociados (humanos)

SMO Tclin Smoothened homolog (1 Activities)

Discover Target: SMO

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

SMO Tclin Smoothened homolog (1371 Activities)

Discover Target: SMO

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

Objetivos asociados (no humanos)

C3H 10T1/2 (488 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 5 mM warming
• Peso molecular: 450.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 450.215 Da
• Monoisotopic Mass: 450.215 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 726.000
• 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