TAS 301 - ≥99%(HPLC) , CAS No.193620-69-8

CAS: 193620-69-8 Cat. No.: T288922 Peso molecular: 357.4 PubChem CID: 9885087

GRADE & PURITY ≥99%(HPLC)

Synonyms

HY-18965 | DTXSID80432401 | FT-0700251 | 2,2-Dimethylcyclohexanone, 92% | 3-[bis-(4-methoxy-phenyl)-methylene]-1,3-dihydro-indol-2-one | CHEBI:92970 | Tas 301 | AKOS024458201 | 3-[bis(4-methoxyphenyl)methylene]-oxindole | 3-[BIS(4-METHOXYPHENYL)METHYLIDEN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HY-18965 | DTXSID80432401 | FT-0700251 | 2, 2-Dimethylcyclohexanone, 92% | 3-[bis-(4-methoxy-phenyl)-methylene]-1, 3-dihydro-indol-2-one | CHEBI:92970 | Tas 301 | AKOS024458201 | 3-[bis(4-methoxyphenyl)methylene]-oxindole | 3-[BIS(4-METHOXYPHENYL)METHYLIDEN

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Inhibitor of smooth muscle cell migration and proliferation. Blocks voltage-independent calcium influx and downstream PKC signaling. Inhibits neointimal thickening after balloon catheter injury to the rat common carotid artery.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504765044
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765044
• Sonrisas canónicas: COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC
• IUPAC Name: 3-[bis(4-methoxyphenyl)methylidene]-1H-indol-2-one
• InChIKey: KUEYYIJXBRWZIB-UHFFFAOYSA-N
• INCHI: 1S/C23H19NO3/c1-26-17-11-7-15(8-12-17)21(16-9-13-18(27-2)14-10-16)22-19-5-3-4-6-20(19)24-23(22)25/h3-14H,1-2H3,(H,24,25)
• Isómeros SMILES: COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC
• WGK Alemania: 3
• PubChem CID: 9885087
• Peso molecular: 357.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Indolines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Indole or derivatives - Dihydroindole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 35.74, Max Conc. mM: 100
• Peso molecular: 357.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 357.136 Da
• Monoisotopic Mass: 357.136 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 530.000
• 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