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NT-0796

CAT: 0013-GTR19218946-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218946-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NT-0796 is a potent, selective, and brain-penetrant NLRP3 inflammasome inhibitor. Its mechanism supports its investigation in preclinical in vivo and in vitro models of neuroinflammatory and systemic diseases. Furthermore, it has been characterized as a potential delivery vector for NDT-19795.
CAS Number
2272917-13-0
Product Name Alternative
NT0796, NT 0796, NLRP3
Field of Research
Immunology & Inflammation, Signal Transduction
Purity
99.67% (May vary between batches)
Solubility
DMSO:80 mg/mL (195.37 mM)
Smiles
N (C (O[C@H] (CC=1N=CC=CN1) C (OC (C) C) =O) =O) C2=C3C (=CC4=C2CCC4) CCC3
Molecular Formula
C23H27N3O4
Molecular Weight
409.48
Storage Conditions
-20°C
Notes
For research use only.

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
Loading 3D structure...
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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