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NT-0796

CAT: 0957-E1940-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1940-01Size:5 mg
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Description
NT-0796 is a brain-penetrant and highly potent inhibitor of NLRP3 Inflammasome with a potential for treating neuroinflammatory disorders. It inhibits IL-1β release in human PBMC cells with an IC50 value of 0.32 nM.
CAS Number
2272917-13-0
Target
NLRP3
Activity
Immunology & Inflammation
Molecular Formula
C23H27N3O4

Chemical Information

Isopropyl (R)-2-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)oxy)-3-(pyrimidin-2-yl)propanoate
CAS Number2272917-13-0
PubChem CID152031485
IUPAC Namepropan-2-yl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate
Molecular FormulaC23H27N3O4
Molecular Weight409.5
XLogP4.2
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity587
SMILES
CC(C)OC(=O)[C@@H](CC1=NC=CC=N1)OC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C23H27N3O4/c1-14(2)29-22(27)19(13-20-24-10-5-11-25-20)30-23(28)26-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21/h5,10-12,14,19H,3-4,6-9,13H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKey
UMUQEMHROZVOTF-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl (R)-2-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)oxy)-3-(pyrimidin-2-yl)propanoate
CAS: 2272917-13-0
CID: 152031485
Formula: C23H27N3O4
MW: 409.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass409.20015635
Monoisotopic Mass409.20015635
Topological Polar Surface Area90.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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