Oncrasin 1 - ≥98% , CAS No.75629-57-1

CAS: 75629-57-1 Cat. No.: O159895 Formula: C₁₆H₁₂ClNO Peso molecolare: 269.73 Numero EC: 808-154-8

GRADE & PURITY ≥98%

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 -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

≥98%

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 -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504760298

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760298

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

Obiettivi associati (umani)

HT-29 (80576 Activities)

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A549 (127892 Activities)

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

NCI-H460 (60772 Activities)

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

MDA-MB-231 (73002 Activities)

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

NCI-H2122 (340 Activities)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 26.97, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 6.74, Max Conc. mM: 25
• 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