example 20 [WO2010128058] - Moligand™ , Inhibitor of beta-secretase 2, CAS No.E610240, Inhibitor of beta-secretase 2

CAS: E610240 Cat. No.: E610240 PubChem CID: 46944265

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of beta-secretase 2

名前と識別子

• カノニカル・スマイル: Clc1cnc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C
• IUPAC Name: N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyrimidine-2-carboxamide
• InChIKey: VZUGBLTVBZJZOE-KRWDZBQOSA-N
• INCHI: 1S/C17H17ClN6O2/c1-17(7-13(25)24(2)16(19)23-17)10-4-3-5-12(6-10)22-15(26)14-20-8-11(18)9-21-14/h3-6,8-9H,7H2,1-2H3,(H2,19,23)(H,22,26)/t17-/m0/s1
• 異性体SMILES: C[C@]1(CC(=O)N(C(=N1)N)C)C2=CC(=CC=C2)NC(=O)C3=NC=C(C=N3)Cl
• PubChem CID: 46944265

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyrimidinecarboxamides 2-heteroaryl carboxamides Halopyrimidines Hydropyrimidines Aryl chlorides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Pyrimidinecarboxamide - Pyrimidine-2-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Halopyrimidine - Aryl chloride - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Amine - Carbonyl group - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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）

BACE2 Tchem Beta-secretase 2 (1 Activities)

Discover Target: BACE2

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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is E610240. InChIKey VZUGBLTVBZJZOE-KRWDZBQOSA-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.