CAY10574 - ≥95% , CAS No.140651-18-9

CAS: 140651-18-9 Cat. No.: C275369 分子式: C₉H₁₀N₆O 分子量: 218.22

GRADE & PURITY ≥95%

Synonyms

SCHEMBL922292 | trans-4-Methoxycinnamate | Caswell No. 541 | Phenol, 4-(2-(3,5-diamino-1H-pyrazol-4-yl)diazenyl)- | CAN 508 | CHEBI:42356 | 4-(3,5-Diamino-1H-pyrazol-4-ylazo)-phenol | 5-phenyl-4h-1,2,4-triazol-3-ylhydrosulfide | BDBM12028 | 3,5-diamino-4-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

同義語

SCHEMBL922292 | trans-4-Methoxycinnamate | Caswell No. 541 | Phenol, 4-(2-(3,5-diamino-1H-pyrazol-4-yl)diazenyl)- | CAN 508 | CHEBI:42356 | 4-(3,5-Diamino-1H-pyrazol-4-ylazo)-phenol | 5-phenyl-4h-1,2,4-triazol-3-ylhydrosulfide | BDBM12028 | 3,5-diamino-4-

仕様と純度

≥95%

生化学的・生理学的メカニズム

Potent, selective Cdk9 kinase inhibitor (IC 50 = 350 nM). Moderate ATP-competitive Cdk2-cyclin E inhibitor (IC 50 = 20 µM). Induces cell cycle arrest, decreasing S-phase.

保管条件

Store at -20°C,Desiccated

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。

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O
• IUPAC Name: 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
• InChIKey: AYZRKFOEZQBUEA-UHFFFAOYSA-N
• INCHI: 1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)
• 異性体SMILES: C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O
• 分子量: 218.22
• Reaxy-Rn: 22629665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22629665&ln=

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: Imidolactams Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Azo compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - 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: Soluble in DMSO
• 分子量: 218.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 218.092 Da
• Monoisotopic Mass: 218.092 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• 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