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MCC950

CAT: 1568-C13792-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C13792-05Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
210826-40-7
Synonyms
CP-456773, CRID3
SKU
C13792-5mg
Target
NLRP3
Applications
Immunology & Inflammation
Smiles
CC (C) (C1=COC (=C1) S (=O) (=O) NC (=O) NC2=C3CCCC3=CC4=C2CCC4) O
Molecular Formula
C20H24N2O5S
Additionnal Information
MCC950 (CP-456773, CRID3) is a potent and selective inhibitor of NLRP3 (NOD-like receptor (NLR) family, pyrin domain-containing protein 3) with IC50 of 7.5 nM and 8.1 nM in BMDMs and HMDMs, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Mcc-950

MCC950 is a member of the class of s-indacenes that is 1,2,3,5,6,7-hexahydro-s-indacene substituted by a ({[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl}carbamoyl)amino group at position 4. It is a potent and selective NLRP3 inhibitor. It has a role as a renoprotective agent, a NLRP3 inhibitor, a neuroprotective agent and an anti-inflammatory agent. It is a member of furans, a tertiary alcohol, a member of s-indacenes and a N-sulfonylurea.

CAS Number210826-40-7
PubChem CID9910393
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
Molecular FormulaC20H24N2O5S
Molecular Weight404.5
XLogP3.4
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity684
SMILES
CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
InChI
InChI=1S/C20H24N2O5S/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)
InChIKey
HUUSXLKCTQDPGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcc-950
CAS: 210826-40-7
CID: 9910393
Formula: C20H24N2O5S
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass404.14059304
Monoisotopic Mass404.14059304
Topological Polar Surface Area117 Ų
Heavy Atom Count28
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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