zelasudil - Moligand™ , Inhibitor of Rho associated coiled-coil containing protein kinase 2, CAS No.2365193-22-0, Inhibitor of Rho associated coiled-coil containing protein kinase 2

CAS: 2365193-22-0 Cat. No.: Z614958 PubChem CID: 155792249

GRADE & PURITY Moligand™

Synonyms

SCHEMBL22966713 | 4-{5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl- 1H-1,2,4-triazol-3-yl}-N-(2,2-difluoroethyl)benzamide | 4-[5-[(4-Cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1H-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide | EEF2SY7GG2 | examp

Storage

Room temperature

Specifications

同義語

SCHEMBL22966713 | 4-{5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl- 1H-1,2,4-triazol-3-yl}-N-(2,2-difluoroethyl)benzamide | 4-[5-[(4-Cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1H-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide | EEF2SY7GG2 | examp

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 Rho associated coiled-coil containing protein kinase 2

名前と識別子

カノニカル・スマイル

Cn1c(nc(n1)c1ccc(cc1)C(=O)NCC(F)F)Nc1c(c2c(cc1)[nH]nc2)C1CC1

IUPAC Name

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide

InChIKey

HSZPZEGJQCFGDE-UHFFFAOYSA-N

INCHI

1S/C22H21F2N7O/c1-31-22(27-17-9-8-16-15(10-26-29-16)19(17)12-2-3-12)28-20(30-31)13-4-6-14(7-5-13)21(32)25-11-18(23)24/h4-10,12,18H,2-3,11H2,1H3,(H,25,32)(H,26,29)(H,27,28,30)

異性体SMILES

CN1C(=NC(=N1)C2=CC=C(C=C2)C(=O)NCC(F)F)NC3=C(C4=C(C=C3)NN=C4)C5CC5

PubChem CID

155792249

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Indazoles Benzamides Benzoyl derivatives N-acyl amines Pyrazoles Heteroaromatic compounds Guanidines Amino acids and derivatives Secondary amines Propargyl-type 1,3-dipolar organic compounds Hydrazones Carboxylic acid amides Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Indazole - Benzopyrazole - Benzoic acid or derivatives - Benzamide - Benzoyl - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Guanidine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl 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）

ROCK2 Tclin Rho-associated protein kinase 2 (0 Activities)

Discover Target: ROCK2

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

よくある質問

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 2365193-22-0. InChIKey HSZPZEGJQCFGDE-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.