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NT-0796

CAT: 1410-M37302-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M37302-02Size: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 brain-permeable, potent, and selective inhibitor of the inflammasome NLRP3, inhibiting NLRP3 activation.NT-0796 is a potential NDT-19795 delivery vector.
CAS Number
2272917-13-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
409.48
Molecular Formula
C23H27N3O4
Notes
Research use only, not for human use.
Receptor
NOD

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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