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

CAS: 2070015-22-2 Cat. No.: O413654 Formule: C₃₀H₃₀F₃N₅O Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

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.

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

528766486

Sourires canoniques

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)

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 100 mg/mL (187.4 mM); Ethanol: 11 mg/mL (20.61 mM); Water: ˂1 mg/mL
• Poids moléculaire: 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