ILK-IN-3 - Moligand™, ≥98% , CAS No.6975-75-3

CAS: 6975-75-3 Cat. No.: I649033 Fórmula: C₁₀H₁₂N₆O Peso molecular: 232.24 PubChem CID: 228619

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID00903507 | SMR000283426 | BRD-K81404764-001-08-0 | QLT-0267; QLT 0267; QLT0267; QLT-267; QLT 267; QLT267 | SY001832 | MLS000737992 | NIOSH/UV9738000 | STK020105 | SCHEMBL924770 | (4E)-5-IMINO-4-[2-(4-METHOXYPHENYL)HYDRAZIN-1-YLIDENE]-4,5-DIHYDRO-1H-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

ILK-IN-3 is an inhibitor of integrin linked kinase, and with antitumor activity.

Specifications

Sinónimos

DTXSID00903507 | SMR000283426 | BRD-K81404764-001-08-0 | QLT-0267; QLT 0267; QLT0267; QLT-267; QLT 267; QLT267 | SY001832 | MLS000737992 | NIOSH/UV9738000 | STK020105 | SCHEMBL924770 | (4E)-5-IMINO-4-[2-(4-METHOXYPHENYL)HYDRAZIN-1-YLIDENE]-4,5-DIHYDRO-1H-

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

ILK-IN-3 is an orally active integrin linked kinase (ILK) inhibitor. ILK-IN-3 improves the anticancer efficacy of Docetaxel ( HY-B0011 ) in orthotopic LCC6 model.

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™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528764881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764881

Sorrisos canónicos

COC1=CC=C(C=C1)N=NC2=C(NN=C2N)N

IUPAC Name

4-[(4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine

InChIKey

QNRNTYHAOBVOKW-UHFFFAOYSA-N

INCHI

1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)

SMILES isoméricas

COC1=CC=C(C=C1)N=NC2=C(NN=C2N)N

PubChem CID

228619

Peso molecular

232.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Imidolactams Pyrazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Imidolactam - Heteroaromatic compound - Azole - Pyrazole - Azo compound - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 83.33 mg/mL (358.81 mM; Need ultrasonic)
• Peso molecular: 232.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 232.107 Da
• Monoisotopic Mass: 232.107 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 266.000
• 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