OSU-T315 - Moligand™, ≥98% , CAS No.2070015-22-2

CAS: 2070015-22-2 Cat. No.: O413654 Fórmula: C₃₀H₃₀F₃N₅O Peso molecular: 533.59

GRADE & PURITY Moligand™, ≥98%

Synonyms

ILK-IN-21H-​Pyrazole-​5-​propanamide,N-​methyl-​1-​[4-​(1-​piperazinyl)​phenyl]​-​3-​[4'-​(trifluoromethyl)​[1,​1'-​biphenyl]​-​4-​yl]​- | ILK-IN-2 | OSU-T315 | N-Methyl-3-(1-(4-(piperazin-1-yl)phenyl)-3-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyra

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

OSU-T315 OSU-T315 (ILK-IN-2) is a potent Integrin-Linked Kinase (ILK) inhibitor with IC50 of 0.6 μM. OSU-T315 induces autophagy and apoptosis, both of which are integral to its antiproliferative activity. OSU-T315 exhibits anti-tumor activity.

Targets

ILK (Cell-free assay) 0.6 μM

Specifications

Sinónimos

ILK-IN-21H-​Pyrazole-​5-​propanamide,N-​methyl-​1-​[4-​(1-​piperazinyl)​phenyl]​-​3-​[4'-​(trifluoromethyl)​[1,​1'-​biphenyl]​-​4-​yl]​- | ILK-IN-2 | OSU-T315 | N-Methyl-3-(1-(4-(piperazin-1-yl)phenyl)-3-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyra

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

OSU-T315 (ILK-IN-2) is a potent Integrin-Linked Kinase (ILK) inhibitor with IC50 of 0.6 μM. OSU-T315 induces autophagy and apoptosis, both of which are integral to its antiproliferative activity. OSU-T315 exhibits anti-tumor activity.

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

528766486

Sorrisos canónicos

CNC(=O)CCC1=CC(=NN1C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(F)(F)F

IUPAC Name

N-methyl-3-[2-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide

InChIKey

AJLOJUFSIDSBNN-UHFFFAOYSA-N

INCHI

1S/C30H30F3N5O/c1-34-29(39)15-14-27-20-28(36-38(27)26-12-10-25(11-13-26)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-13,20,35H,14-19H2,1H3,(H,34,39)

Peso molecular

533.59

Reaxy-Rn

40976504

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40976504&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Biphenyls and derivatives Phenylpyrazoles Trifluoromethylbenzenes Dialkylarylamines Aniline and substituted anilines Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Biphenyl - Phenylpyrazole - Trifluoromethylbenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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: Solubility (25°C) In vitro DMSO: 100 mg/mL (187.4 mM); Ethanol: 11 mg/mL (20.61 mM); Water: ˂1 mg/mL
• Peso molecular: 533.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 533.24 Da
• Monoisotopic Mass: 533.24 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 767.000
• 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