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 Molecular Weight: 469.54 EC Number: 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

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)-

Specifications & Purity

Moligand™, 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Macrophage colony stimulating factor receptor inhibitor

Product Properties

• ALogP: 3.7

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 469.54

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Molecular Weight: 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