3-(トリチルチオ)プロピオン酸 - ≥97% , CAS No.27144-18-9

CAS: 27144-18-9 Cat. No.: T101158 分子式: C₂₂H₂₀O₂S 分子量: 348.46 EC番号: 626-436-7 PubChem CID: 262767

GRADE & PURITY ≥97%

Synonyms

3-(Tritylthio)propionic acid | NSC96707 | Triphenylmethyl-containing compound, 35 | SCHEMBL34785 | S-TRITYL-3-MERCAPTOpropanoic acid | ZB0558 | 3-(tritylthio)propanoic acid | 3-[(triphenylmethyl)sulfanyl]propanoic acid | AS-19320 | C22H20O2S | 3-Tritylsul

Storage

Argon charged,Room temperature

Shipped In

ノーマル

Specifications

同義語

3-(Tritylthio)propionic acid | NSC96707 | Triphenylmethyl-containing compound, 35 | SCHEMBL34785 | S-TRITYL-3-MERCAPTOpropanoic acid | ZB0558 | 3-(tritylthio)propanoic acid | 3-[(triphenylmethyl)sulfanyl]propanoic acid | AS-19320 | C22H20O2S | 3-Tritylsul

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

• パブケム・シド: 488189138
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488189138
• カノニカル・スマイル: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
• IUPAC Name: 3-tritylsulfanylpropanoic acid
• InChIKey: AECGEIVNZGQBJT-UHFFFAOYSA-N
• INCHI: 1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)
• 異性体SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
• WGKドイツ: 3
• PubChem CID: 262767
• 分子量: 348.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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）

HeLa (62764 Activities)

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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

• 感度: Air sensitive；Hygroscopic
• 分子量: 348.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 348.118 Da
• Monoisotopic Mass: 348.118 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 359.000
• 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

参考文献

1. Wei He, Yawei Du, Wenya Zhou, Chen Yao, Xinsong Li.  (2019)  Redox-sensitive dimeric camptothecin phosphatidylcholines-based liposomes for improved anticancer efficacy.  Nanomedicine,      [PMID:31696756] [10.2217/nnm-2019-0261]