PK11000 - ≥98%(HPLC) , CAS No.38275-34-2

CAS: 38275-34-2 Cat. No.: P170046 分子式: C₆H₅ClN₂O₄S 分子量: 236.63 EC番号: 843-218-9 PubChem CID: 1241459

GRADE & PURITY ≥98%(HPLC)

Synonyms

HY-U00447 | SY059860 | BCP30143 | CCG-266846 | EX-A3577 | AKOS000267675 | 5-chloro-2-(methylsulfonyl)-4-Pyrimidinecarboxylic acid | 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid | A873890 | 5-chloro-2-methanesulfonyl-pyrimidine-4-carboxylic acid |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

HY-U00447 | SY059860 | BCP30143 | CCG-266846 | EX-A3577 | AKOS000267675 | 5-chloro-2-(methylsulfonyl)-4-Pyrimidinecarboxylic acid | 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid | A873890 | 5-chloro-2-methanesulfonyl-pyrimidine-4-carboxylic acid |

仕様と純度

≥98%(HPLC)

保管条件

Protected from light,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

≥98%(HPLC)

名前と識別子

パブケム・シド

504760431

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760431

カノニカル・スマイル

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Cl

IUPAC Name

5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid

InChIKey

WZUPWJVRWIVWEF-UHFFFAOYSA-N

INCHI

1S/C6H5ClN2O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)

異性体SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Cl

PubChem CID

1241459

分子量

236.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Halopyrimidines Aryl chlorides Vinylogous halides Sulfones Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-6-carboxylic acid - Halopyrimidine - Aryl chloride - Aryl halide - Sulfone - Heteroaromatic compound - Sulfonyl - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
• 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）

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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: Light sensitive
• 分子量: 236.630 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 235.966 Da
• Monoisotopic Mass: 235.966 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 325.000
• 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 ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 38275-34-2, the molecular formula is C6H5ClN2O4S, and the molecular weight is 236.63 g/mol. InChIKey WZUPWJVRWIVWEF-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.