Oncrasin 1 - 10mM in DMSO , CAS No.75629-57-1

CAS: 75629-57-1 Cat. No.: O425845 Formule: C₁₆H₁₂ClNO Poids moléculaire: 269.73 Numéro CE: 808-154-8

GRADE & PURITY 10mM in DMSO

Synonyms

BP-25398 | ONC-1 | N-4-chlorobenzyl-3-formylindole | FT-0734916 | HY-16662 | 1-[(4-Chlorophenyl)methyl]-1H-indole-3-carbaldehyde | EN300-228659 | STK347777 | BBL015259 | HB0473 | Oncrasin-1, >=98% (HPLC) | N-4-chlorobenzylindole-3-carboxaldehyde | AB00090

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Oncrasin-1 is a potent and effective anticancer inhibitor that kills various human lung cancer cells with K-Ras mutations at low or submicromolar concentrations;

Specifications

Synonymes

BP-25398 | ONC-1 | N-4-chlorobenzyl-3-formylindole | FT-0734916 | HY-16662 | 1-[(4-Chlorophenyl)methyl]-1H-indole-3-carbaldehyde | EN300-228659 | STK347777 | BBL015259 | HB0473 | Oncrasin-1, >=98% (HPLC) | N-4-chlorobenzylindole-3-carboxaldehyde | AB00090

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Proapoptotic agent that induces abnormal nuclear aggregation of PKCιand suppresses RNA transcription. Exhibits antiproliferative effects against various human tumor cell lines with K-Ras mutations (IC50≤ 3μM) with minimal effects on normal epithelial cell

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528772000

Sourires canoniques

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O

IUPAC Name

1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde

InChIKey

ZDRQMXCSSAPUMM-UHFFFAOYSA-N

INCHI

1S/C16H12ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2

Isomères SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O

WGK Allemagne

3

Poids moléculaire

269.73

Reaxy-Rn

5549127

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5549127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles Chlorobenzenes Aryl-aldehydes Substituted pyrroles Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

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Hdac6 Histone deacetylase 6 (222 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: heat sensitive ;air sensitive
• Point de fusion (°C): 117 °C
• Poids moléculaire: 269.720 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 269.061 Da
• Monoisotopic Mass: 269.061 Da
• Topological Polar Surface Area: 22.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 314.000
• 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