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

CAS: 75629-57-1 Cat. No.: O425845 Formula: C₁₆H₁₂ClNO Peso molecolare: 269.73 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Pubchem Sid: 528772000
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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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NCI-H460 (60772 Activities)

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NCI-H2122 (340 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: heat sensitive ;air sensitive
• Punto di fusione (°C): 117 °C
• Peso molecolare: 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