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

CAS: 75629-57-1 Cat. No.: O425845 Peso molecular: 269.73 Número 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

HT-29 (80576 Activities)

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A549 (127892 Activities)

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NCI-H460 (60772 Activities)

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MDA-MB-231 (73002 Activities)

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NCI-H2122 (340 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: heat sensitive ;air sensitive
• Punto de fusión (°C): 117 °C
• Peso molecular: 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