SecinH3 - 10mM in DMSO , CAS No.853625-60-2

CAS: 853625-60-2 Cat. No.: S426326 Formule: C₂₄H₂₀N₄O₄S Poids moléculaire: 460.51 PubChem CID: 1029232

GRADE & PURITY 10mM in DMSO

Synonyms

AC-32923 | HMS2211A12 | Secin H3 | SMR000486394 | N-[4-[5-(1,3-Benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide | Secin-H3; Secin H3 | EX-A2438 | CCG-265025 | C76746 | SCHEMBL7899934 | SW220259-1 | N-[4-[5-(1,3-benzodioxol

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonymes

AC-32923 | HMS2211A12 | Secin H3 | SMR000486394 | N-[4-[5-(1,3-Benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide | Secin-H3; Secin H3 | EX-A2438 | CCG-265025 | C76746 | SCHEMBL7899934 | SW220259-1 | N-[4-[5-(1,3-benzodioxol

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Selective Sec7-GEF inhibitor (IC 50 values are 2.4, 5.4, 5.4, 5.6, 5.6, 65 and > 100 μM for hCyh2, hCyh1, mCyh3, hCyh3, Drosophila steppke, yGea2-S7 and hEFA6-S7, respectively).

Conditions de stockage de stockage

Protected from light,Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528767263
• Sourires canoniques: COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5
• IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
• InChIKey: QPGYAMIHXLCFTJ-UHFFFAOYSA-N
• INCHI: 1S/C24H20N4O4S/c1-30-24-26-23(16-7-12-20-21(13-16)32-15-31-20)28(27-24)18-10-8-17(9-11-18)25-22(29)14-33-19-5-3-2-4-6-19/h2-13H,14-15H2,1H3,(H,25,29)
• Isomères SMILES: COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5
• PubChem CID: 1029232
• Poids moléculaire: 460.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Anilides Benzodioxoles Thiophenol ethers N-arylamides Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Benzodioxole - Anilide - Aryl thioether - Thiophenol ether - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Ether - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• Description: 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

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Cibles associées (non humaines)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 460.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 460.121 Da
• Monoisotopic Mass: 460.121 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 644.000
• 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