PFM 01 - ≥97% , CAS No.1558598-41-6

CAS: 1558598-41-6 Cat. No.: P287749 分子式: C₁₄H₁₅NO₂S₂ 分子量: 293.4 EC番号: 110-721-3 PubChem CID: 2145809

グレード＆純度 ≥97%

Synonyms

(5Z)-5-[(4-ヒドロキシフェニル)メチレン]-3-(2-メチルプロピル)-2-チオキソ-4-チアゾリジノン｜PFM01

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

仕様

同義語

(5Z)-5-[(4-ヒドロキシフェニル)メチレン]-3-(2-メチルプロピル)-2-チオキソ-4-チアゾリジノン｜PFM01

仕様と純度

≥97%

生化学的・生理学的メカニズム

MRE11エンドヌクレアーゼ阻害剤。二本鎖切断（DSB）の切除を防ぐ。非相同末端結合（NHEJ）を促進し、相同組換えを減少させる。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥97%

名前と識別子

パブケム・シド

504760702

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760702

カノニカル・スマイル

CC(C)CN1C(=O)C(=CC2=CC=C(C=C2)O)SC1=S

IUPAC Name

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

InChIKey

GPURHDUTZUYAFI-GHXNOFRVSA-N

INCHI

1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-

異性体SMILES

CC(C)CN1C(=O)/C(=C/C2=CC=C(C=C2)O)/SC1=S

PubChem CID

2145809

分子量

293.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Thiazolidinethiones Benzene and substituted derivatives Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-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

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 29.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 29.34, Max Conc. mM: 100
• 分子量: 293.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 293.054 Da
• Monoisotopic Mass: 293.054 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 398.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 1558598-41-6, the molecular formula is C??H??NO?S?, and the molecular weight is 293.4 g/mol. InChIKey GPURHDUTZUYAFI-GHXNOFRVSA-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.