emlenoflast - Moligand™, ≥98% , Inhibitor of NLRP3, CAS No.1995067-59-8, Inhibitor of NLRP3

CAS: 1995067-59-8 Cat. No.: E610112 分子式: C₁₉H₂₄N₄O₃S 分子量: 388.48 PubChem CID: 122480653

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl) amino]carbonyl]-1-(1-methylethyl)-1H-Pyrazole-3-sulfonamide | Emlenoflast | MCC7840 | MCC-7840 | Inzomelid | IZD-174

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Emlenoflast (MCC7840), a sulfonylurea, is a potent and selective inhibitor of NLRP3 inflammasome, with an IC50 of <100 nM. Emlenoflast can be used for the research of inflammatory diseases.

Specifications

同義語

N-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl) amino]carbonyl]-1-(1-methylethyl)-1H-Pyrazole-3-sulfonamide | Emlenoflast | MCC7840 | MCC-7840 | Inzomelid | IZD-174

仕様と純度

Moligand™, ≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

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。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of NLRP3

純度

≥98%

名前と識別子

• パブケム・シド: 528768671
• カノニカル・スマイル: CC(C)N1C=CC(=N1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
• IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
• InChIKey: MTOUOUSKXWSTAX-UHFFFAOYSA-N
• INCHI: 1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)
• 異性体SMILES: CC(C)N1C=CC(=N1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
• 代替CAS番号: 1995067-59-8
• PubChem CID: 122480653
• 分子量: 388.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Sulfonylureas Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azoles Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Sulfonylurea - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Azole - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused 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

関連ターゲット（人間）

NLRP3 Tchem NACHT, LRR and PYD domains-containing protein 3 (0 Activities)

Discover Target: NLRP3

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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 388.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 388.157 Da
• Monoisotopic Mass: 388.157 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 642.000
• 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