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

    Grade & Purity:
  • 10mM in Water
In stock
Item Number
C422893
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C422893-1ml
1ml
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$147.90

Potent NLRP3 inflammasome inhibitor; inhibits IL-1β production

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Compound libraries (12325)

Basic Description

Synonyms MCC950 sodium | 256373-96-3 | CRID3 sodium salt | CP-456773 sodium | MCC950 sodium salt | MCC950 (sodium) | CP-456773 sodium salt | MCC-950 sodium salt | CP-456,773 sodium salt | CHEMBL4750616 | 256373-96-3 (sodium) | 66BL55B687 | Sodium ((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ca
Specifications & Purity 10mM in Water
Biochemical and Physiological Mechanisms 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
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class 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

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name sodium;1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide
INCHI 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
InChIKey LFQQNXFKPNZRFT-UHFFFAOYSA-M
Smiles CC(C)(C1=COC(=C1)S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC4=C2CCC4)O.[Na+]
Isomeric SMILES CC(C)(C1=COC(=C1)S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC4=C2CCC4)O.[Na+]
Molecular Weight 426.46
Reaxy-Rn 9463223
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9463223&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Sensitivity Sensitive to humidity, heat, air
Melt Point(°C) 239 °C
Molecular Weight 426.500 g/mol
XLogP3
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

Solution Calculators

Reviews

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