Eg5 Inhibitor VII - ≥98% , CAS No.912953-25-4

CAS: 912953-25-4 Cat. No.: E338226 Formule: C₁₆H₁₂F₃NO Poids moléculaire: 291.3

GRADE & PURITY ≥98%

Synonyms

KSP Inhibitor VII | 6-(4-Trifluoromethyl)phenyl)-3,4-dihydro-2(1H)-quinolinone, GSK-1 | 6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Eg5 Inhibitor VII is a cell-permeable quinolinone compound that acts as a very potent and selective Eg5/KSP inhibitor by antagonizing ATP binding via an allosteric site. Eg5 Inhibitor VII effectively induces monopolar spindles in ovarian adenocarcinoma SKOV3 cells, and inhibits the proliferation of colorectal carcinoma HCT116 cells. Eg5 Inhibitor VII is not competitive with respect to microtubule and exhibits minimal activity against a panel of 7 other mitotic kinesins.

application：

Eg5 Inhibitor VII is a very potent and selective Eg5/KSP inhibitor.

Specifications

Synonymes

KSP Inhibitor VII | 6-(4-Trifluoromethyl)phenyl)-3,4-dihydro-2(1H)-quinolinone, GSK-1 | 6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥98%

Propriétés du produit

pKa

pKₐ: 0.69 (Predicted)

Ki Data

Eg5/KSP: Ki= 1.4 nM (mutant A133D); Eg5/KSP: Ki= 1.7 nM (wild-type KSP); Eg5/KSP: Ki= 2.1 nM (mutant KHC-L5); Eg5/KSP: Ki= 2.2 nM (mutant D130V)

Noms et identifiants

Pubchem Sid

504766876

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766876

Sourires canoniques

C1CC(=O)NC2=C1C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

IUPAC Name

6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

InChIKey

WNVWLPPJRMIRBG-UHFFFAOYSA-N

INCHI

1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)

Isomères SMILES

C1CC(=O)NC2=C1C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Poids moléculaire

291.3

Reaxy-Rn

12749467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12749467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Hydroquinolones Trifluoromethylbenzenes Hydroquinolines Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Tetrahydroquinolone - Quinolone - Trifluoromethylbenzene - Tetrahydroquinoline - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with 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

Cibles associées (humaines)

KIF11 Tchem Kinesin-like protein KIF11 (5 Activities)

Discover Target: KIF11

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SK-OV-3 (52876 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIF11 Tchem Kinesin-like protein 1 (1720 Activities)

Discover Target: KIF11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIF2C Tbio Kinesin-like protein KIF2C (17 Activities)

Discover Target: KIF2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIF4A Tbio Chromosome-associated kinesin KIF4A (56 Activities)

Discover Target: KIF4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CENPE Tchem Centromere-associated protein E (102 Activities)

Discover Target: CENPE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIF23 Tbio Kinesin-like protein KIF23 (56 Activities)

Discover Target: KIF23

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIF6 Tbio Kinesin-like protein KIF6 (3 Activities)

Discover Target: KIF6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIF1A Tbio Kinesin-like protein KIF1A (4 Activities)

Discover Target: KIF1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (10 mg/ml).
• Indice de réfraction: n20D1.54 (Predicted)
• Point d'ébullition (°C): 429.46° C at 760 mmHg (Predicted)
• Point de fusion (°C): 172.13° C (Predicted)
• Poids moléculaire: 291.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 291.087 Da
• Monoisotopic Mass: 291.087 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 387.000
• 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