Seralutinib (GB002) - Moligand™, 10mM in DMSO , Macrophage colony stimulating factor receptor inhibitor, CAS No.1619931-27-9, Macrophage colony stimulating factor receptor inhibitor

CAS: 1619931-27-9 Cat. No.: S580523 Peso molecular: 469.54 Número EC: 846-826-2 PubChem CID: 91663352

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

GTPL10618 | UNII-3P63ZTE3OY | SERALUTINIB [WHO-DD] | 3P63ZTE3OY | HY-109190 | AT11371 | Seralutinib | EX-A5138 | MS-28681 | structure 2a [WO2014110200A1] | Gb002 | GB-002 | WHO 11243 | (S)-N-(3-(1-((6-(3,4-Dimethoxyphenyl)pyrazin-2-yl)amino)ethyl)phenyl)-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

GTPL10618 | UNII-3P63ZTE3OY | SERALUTINIB [WHO-DD] | 3P63ZTE3OY | HY-109190 | AT11371 | Seralutinib | EX-A5138 | MS-28681 | structure 2a [WO2014110200A1] | Gb002 | GB-002 | WHO 11243 | (S)-N-(3-(1-((6-(3, 4-Dimethoxyphenyl)pyrazin-2-yl)amino)ethyl)phenyl)-

Especificaciones y pureza

Moligand™, 10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Macrophage colony stimulating factor receptor inhibitor

Propiedades del producto

• ALogP: 3.7

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CN=C1)C(=O)NC2=CC=CC(=C2)C(C)NC3=NC(=CN=C3)C4=CC(=C(C=C4)OC)OC
• IUPAC Name: N-[3-[(1S)-1-[[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
• InChIKey: JHJNPOSPVGRIAN-SFHVURJKSA-N
• INCHI: 1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1
• Isómeros SMILES: CC1=CC(=CN=C1)C(=O)NC2=CC=CC(=C2)[C@H](C)NC3=NC(=CN=C3)C4=CC(=C(C=C4)OC)OC
• PubChem CID: 91663352
• Peso molecular: 469.54

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: Dimethoxybenzenes Nicotinamides Phenoxy compounds Anisoles Methylpyridines Aminopyrazines Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Dimethoxybenzene - O-dimethoxybenzene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Nicotinamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrazine - Methylpyridine - Imidolactam - Pyridine - Pyrazine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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)

PDGFRA Tclin Platelet-derived growth factor receptor alpha (0 Activities)

Discover Target: PDGFRA

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

PDGFRB Tclin Platelet-derived growth factor receptor beta (0 Activities)

Discover Target: PDGFRB

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

Propiedades químicas y físicas

• Peso molecular: 469.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 469.211 Da
• Monoisotopic Mass: 469.211 Da
• Topological Polar Surface Area: 98.300 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 667.000
• 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