WAY-311191 - 10mM in DMSO , CAS No.577752-93-3

CAS: 577752-93-3 Cat. No.: W424856 Summenformel: C₁₅H₁₈N₄O₃S₂ Molekulargewicht: 366.5 PubChem CID: 1428544

QUALITÄT & REINHEIT 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

modulator of 11b-hydroxysteroid dehydrogenase type 1 (11bHSD1)

Spezifikationen

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

IUPAC Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

InChIKey

CEDGKMHQKMNIMD-UHFFFAOYSA-N

INCHI

1S/C15H18N4O3S2/c1-2-13-17-18-15(23-13)16-14(20)11-5-7-12(8-6-11)24(21,22)19-9-3-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,18,20)

Isomere SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

PubChem CID

1428544

Molekulargewicht

366.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Benzamides Benzoyl derivatives Organosulfonamides Thiadiazoles Sulfonyls Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Organosulfonic acid amide - Azole - Heteroaromatic compound - Pyrrolidine - Organic sulfonic acid or derivatives - Thiadiazole - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Zugehörige Ziele (menschlich)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 366.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 366.082 Da
• Monoisotopic Mass: 366.082 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 537.000
• 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