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

CAS: 193620-69-8 Cat. No.: T288922 分子式: C₂₃H₁₉NO₃ 分子量: 357.4 PubChem CID: 9885087

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥99%(HPLC)

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%(HPLC)

名前と識別子

パブケム・シド

504765044

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504765044

カノニカル・スマイル

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)

異性体SMILES

COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

WGKドイツ

3

PubChem CID

9885087

分子量

357.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 35.74, Max Conc. mM: 100
• 分子量: 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 193620-69-8, the molecular formula is C23H19NO3, and the molecular weight is 357.4 g/mol. InChIKey KUEYYIJXBRWZIB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.