Senexin A - ≥98% , CAS No.1366002-50-7

CAS: 1366002-50-7 Cat. No.: S404102 分子式: C₁₇H₁₄N₄ EC番号: 878-626-6 PubChem CID: 56927063

GRADE & PURITY ≥98%

Synonyms

BCP25089 | AC-33659 | AKOS028113542 | SCHEMBL16172718 | 1366002-50-7 | CCG-267196 | 4-(Phenethylamino)quinazoline-6-carbonitrile | NCGC00379223-01 | BDBM50459994 | Senexin A | 4-(2-phenylethylamino)quinazoline-6-carbonitrile | 4-[(2-Phenylethyl)amino]-6-q

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

BCP25089 | AC-33659 | AKOS028113542 | SCHEMBL16172718 | 1366002-50-7 | CCG-267196 | 4-(Phenethylamino)quinazoline-6-carbonitrile | NCGC00379223-01 | BDBM50459994 | Senexin A | 4-(2-phenylethylamino)quinazoline-6-carbonitrile | 4-[(2-Phenylethyl)amino]-6-q

仕様と純度

≥98%

生化学的・生理学的メカニズム

Senexin A is an inhibitor of CDK8 with IC50 of 280 nM

保管条件

Store at -20°C,Argon charged

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

純度

≥98%

名前と識別子

• パブケム・シド: 504771490
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504771490
• カノニカル・スマイル: C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N
• IUPAC Name: 4-(2-phenylethylamino)quinazoline-6-carbonitrile
• InChIKey: XBJCNHGQFJFCOY-UHFFFAOYSA-N
• INCHI: 1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)
• 異性体SMILES: C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N
• PubChem CID: 56927063

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine 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）

CDKN1A Tchem Cyclin-dependent kinase inhibitor 1 (1 Activities)

Discover Target: CDKN1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDKN1A Tchem CDK-interacting protein 1 (92 Activities)

Discover Target: CDKN1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK8 Tchem Cell division protein kinase 8 (1536 Activities)

Discover Target: CDK8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK19 Tchem Cell division cycle 2-like protein kinase 6 (553 Activities)

Discover Target: CDK19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK8 Tchem CDK8/Cyclin C (1054 Activities)

Discover Target: CDK8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK8 Tchem Cyclin-dependent kinase 8/19 (99 Activities)

Discover Target: CDK8

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: DMSO: ≥ 100 mg/mL (364.54 mM)
• 感度: Air sensitive
• 融点（°C）: 178.0 to 182.0 °C
• 分子量: 274.320 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 274.122 Da
• Monoisotopic Mass: 274.122 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 368.000
• 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