CRID3 sodium salt - 10mM in Water , CAS No.256373-96-3

CAS: 256373-96-3 Cat. No.: C422893 Fórmula: C₂₀H₂₃N₂NaO₅S Peso molecular: 426.46

GRADE & PURITY 10mM in Water

Synonyms

KBio1_000672 | sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[[4-(1-hydroxy-1-methyl-ethyl)-2-furyl]sulfonyl]azanide | MCC950 sodium salt | AKOS025147369 | EN300-214108 | s7809 | MCC950 (CP-456773) sodium | ethyl 1,4-dihydro-7-methoxy-4-oxoquinolin

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

application：

CP-456773 sodium salt has been used :

In in vivo experiments to study the neuroprotective action of ketogenic diet.

To study the effect of inhibition of NLRP3 (nod-like receptor protein 3) inflammasome activity on tumor progression in mouse models.

To study the cholesterol crystal-mediated IL-1b (interleukin-1b) response in placental explants.

Specifications

Sinónimos

KBio1_000672 | sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[[4-(1-hydroxy-1-methyl-ethyl)-2-furyl]sulfonyl]azanide | MCC950 sodium salt | AKOS025147369 | EN300-214108 | s7809 | MCC950 (CP-456773) sodium | ethyl 1,4-dihydro-7-methoxy-4-oxoquinolin

Especificações e pureza

10mM in Water

Mecanismos bioquímicos e fisiológicos

Potent NLRP3 inflammasome inhibitor; closes the active conformation of NLRP3 to the inactive state. Directly interacts with the Walker B motif within the NLRP3 NACHT domain. Inhibits IL-1β, IL-18 and IL-1α production (IC50values are 7.2, 10.3 and 12-18 nM

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528763821

Sorrisos canónicos

CC(C)(C1=COC(=C1)S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC4=C2CCC4)O.[Na+]

IUPAC Name

sodium;1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide

InChIKey

LFQQNXFKPNZRFT-UHFFFAOYSA-M

INCHI

1S/C20H24N2O5S.Na/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18;/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23);/q;+1/p-1

SMILES isoméricas

CC(C)(C1=COC(=C1)S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC4=C2CCC4)O.[Na+]

Peso molecular

426.46

Reaxy-Rn

9463223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9463223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Sulfonylureas Tertiary alcohols Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Furans Oxacyclic compounds Carbene-type 1,3-dipolar compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Sulfonylurea - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Tertiary alcohol - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbene-type 1,3-dipolar compound - Alcohol - Aromatic alcohol - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Sensitive to humidity, heat, air
• Ponto de fusão (°C): 239 °C
• Peso molecular: 426.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 426.123 Da
• Monoisotopic Mass: 426.123 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 690.000
• 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: 2

XLogP3