Eg5 Inhibitor V, trans-24 - ≥98% , CAS No.869304-55-2

CAS: 869304-55-2 Cat. No.: E338228 Molecular Weight: 423.5 PubChem CID: 11553595

GRADE & PURITY ≥98%

Synonyms

(10R,15S)-13-benzyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione | (5R,11AS)-2-benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione | AKOS040733

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Eg5 Inhibitor V, trans-24 is a cell-permeable HR22C16 derivative that exhibits much enhanced potency against mitotic kinesin Eg5-ATPase activity (IC|50|= 0.65 vs. 4.3 μM for trans-24 and HR22C16, respectively) and little or no activity against 9 other kinesins. Shown to induce monoastral phenotype in HeLa cells (20 μM).

Specifications

Synonyms

(10R, 15S)-13-benzyl-10-(3-hydroxyphenyl)-8, 11, 13-triazatetracyclo[7.7.0.02, 7.011, 15]hexadeca-1(9), 2, 4, 6-tetraene-12, 14-dione | (5R, 11AS)-2-benzyl-5-(3-hydroxyphenyl)-5, 6, 11, 11a-tetrahydro-1H-imidazo[1', 5':1, 6]pyrido[3, 4-b]indole-1, 3(2H)-dione | AKOS040733

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Eg5 Inhibitor V, trans-24 is a potent and specific kinesin Eg5 inhibitor with an IC50 of 0.65 μM, and can be used in the research of cancer.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C2C(=O)N(C(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)O)CC6=CC=CC=C6
• IUPAC Name: (10R,15S)-13-benzyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
• InChIKey: UOKINRKWPYVMSZ-LADGPHEKSA-N
• INCHI: 1S/C26H21N3O3/c30-18-10-6-9-17(13-18)24-23-20(19-11-4-5-12-21(19)27-23)14-22-25(31)28(26(32)29(22)24)15-16-7-2-1-3-8-16/h1-13,22,24,27,30H,14-15H2/t22-,24+/m0/s1
• Isomeric SMILES: C1[C@H]2C(=O)N(C(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)O)CC6=CC=CC=C6
• PubChem CID: 11553595
• Molecular Weight: 423.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Pyridoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta carbolines
• Alternative Parents: Hydantoins 3-alkylindoles Alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids N-acyl ureas Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dicarboximides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-carboline - Hydantoin - Alpha-amino acid or derivatives - 3-alkylindole - Indole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - N-acyl urea - Phenol - Ureide - Benzenoid - Monocyclic benzene moiety - Imidazolidinone - Heteroaromatic compound - Pyrrole - Dicarboximide - Imidazolidine - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
• 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

Associated Targets(Human)

KIF11 Tchem Kinesin-like protein KIF11 (1 Activities)

Discover Target: KIF11

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

Chemical and Physical Properties

• Solubility: DMSO: 45 mg/mL (106.27 mM)( < 1 mg/mL refers to the product slightly soluble or insoluble )
• Molecular Weight: 423.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 423.158 Da
• Monoisotopic Mass: 423.158 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 738.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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