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

CAS: 1995067-59-8 Cat. No.: E610112 분자식: C₁₉H₂₄N₄O₃S 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of NLRP3

순수함

≥98%

이름과 식별자

Pubchem Sid

528768671

정식 스마일

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)

이성체 SMILES

CC(C)N1C=CC(=N1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4

대체 CAS

1995067-59-8

PubChem CID

122480653

분자량

388.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 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