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MCC950 50mg

CAT: 0628-A22097-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22097-50Size:50 mg
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CAS Number
210826-40-7

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
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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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