rineterkib - Moligand™ , Inhibitor of mitogen-activated protein kinase 1, CAS No.1715025-32-3, Inhibitor of mitogen-activated protein kinase 1

CAS: 1715025-32-3 Cat. No.: R613195 PubChem CID: 118045847

GRADE & PURITY Moligand™

Synonyms

15KFN616FK | EX-A4767 | 1715025-32-3 | CAS-4350-09-8 | MS-30393 | Benzamide, 4-(3-amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-N-((1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluoro- | Rineterkib [INN] | 4-(3-Amino-6-((1S,3S,4

Storage

Room temperature

Specifications

Sinónimos

15KFN616FK | EX-A4767 | 1715025-32-3 | CAS-4350-09-8 | MS-30393 | Benzamide, 4-(3-amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-N-((1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluoro- | Rineterkib [INN] | 4-(3-Amino-6-((1S,3S,4

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of mitogen-activated protein kinase 1

Nomes e identificadores

• Sorrisos canónicos: CNCC(C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)C4CCC(C(C4)F)O)F
• IUPAC Name: 4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
• InChIKey: YFCIFWOJYYFDQP-PTWZRHHISA-N
• INCHI: 1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1
• SMILES isoméricas: CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)F
• CAS alternativo: 1715025-32-3
• PubChem CID: 118045847

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Cyclohexyl halides Cyclohexanols Bromobenzenes Pyrazines N-acyl amines Imidolactams Vinylogous halides Heteroaromatic compounds Fluorohydrins Cyclic alcohols and derivatives Amino acids and derivatives Dialkylamines Carboxylic acid amides Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylbenzamide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Cyclohexyl halide - Halobenzene - Fluorobenzene - Cyclohexanol - Bromobenzene - Imidolactam - Pyrazine - N-acyl-amine - Heteroaromatic compound - Vinylogous halide - Cyclic alcohol - Secondary alcohol - Halohydrin - Fluorohydrin - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl 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

Alvos associados (humanos)

MAPK1 Tchem Mitogen-activated protein kinase 1 (1 Activities)

Discover Target: MAPK1

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 578.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 577.13 Da
• Monoisotopic Mass: 577.13 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 757.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1715025-32-3. InChIKey YFCIFWOJYYFDQP-PTWZRHHISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.