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

CAS: 256373-96-3 Cat. No.: C422893 Formule: C₂₀H₂₃N₂NaO₅S Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

10mM in Water

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

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.

Type d'action

INHIBITOR

Noms et identifiants

Pubchem Sid

528763821

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Sensitive to humidity, heat, air
• Point de fusion (°C): 239 °C
• Poids moléculaire: 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