MuRF1-IN-1 - Moligand™,≥98% , CAS No.445222-91-3

CAS: 445222-91-3 Cat. No.: M1047368 Fórmula: C₁₈H₁₅N₃O₃ Peso molecular: 321.33

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-Amino-1'-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

MuRF1-IN-1 is a MuRF1 inhibitor. MuRF1-IN-1 can inhibit the interaction between MuRF1 and titin as well as E3 ligase activity. MuRF1-IN-1 can alleviate skeletal muscle atrophy and dysfunction in cardiac cachexia.

Specifications

Sinónimos

2-Amino-1'-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3C(=O)CCC4)N)C#N
• IUPAC Name: 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
• InChIKey: VXTHFLXWLSPJSP-UHFFFAOYSA-N
• INCHI: 1S/C18H15N3O3/c1-21-12-6-3-2-5-10(12)18(17(21)23)11(9-19)16(20)24-14-8-4-7-13(22)15(14)18/h2-3,5-6H,4,7-8,20H2,1H3
• SMILES isoméricas: CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3C(=O)CCC4)N)C#N
• Peso molecular: 321.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Cyclohexenones Pyrans Benzenoids Vinylogous esters Tertiary carboxylic acid amides Lactams Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Cyclohexenone - Pyran - Benzenoid - Tertiary carboxylic acid amide - Vinylogous ester - Carboxamide group - Ketene acetal or derivatives - Ketone - Lactam - Carboxylic acid derivative - Carbonitrile - Nitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 321.300 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 321.111 Da
• Monoisotopic Mass: 321.111 Da
• Topological Polar Surface Area: 96.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 757.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1