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

CAS: 6975-75-3 Cat. No.: I649033 Formule: C₁₀H₁₂N₆O Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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-

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528764881

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

PubChem CID

228619

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 83.33 mg/mL (358.81 mM; Need ultrasonic)
• Poids moléculaire: 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