MedKoo Cat#: 125431 | Name: NT-0796
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

NT-0796 is a Brain-Penetrant and Highly Potent. NLRP3 Inflammasome Inhibitor (IC50 = 0.32 nM) for Neuroinflammatory Disorders.

Chemical Structure

NT-0796
NT-0796
CAS#2272917-13-0

Theoretical Analysis

MedKoo Cat#: 125431

Name: NT-0796

CAS#: 2272917-13-0

Chemical Formula: C23H27N3O4

Exact Mass: 409.2000

Molecular Weight: 409.49

Elemental Analysis: C, 67.46; H, 6.65; N, 10.26; O, 15.63

Price and Availability

Size Price Availability Quantity
5mg USD 550.00 2 Weeks
25mg USD 950.00 2 Weeks
100mg USD 1,650.00 2 Weeks
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Related CAS #
No Data
Synonym
NT-0796; NT 0796; NT0796
IUPAC/Chemical Name
isopropyl (R)-2-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)oxy)-3-(pyrimidin-2-yl)propanoate
InChi Key
UMUQEMHROZVOTF-LJQANCHMSA-N
InChi Code
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
SMILES Code
O=C(O[C@H](CC1=NC=CC=N1)C(OC(C)C)=O)NC2=C3C(CCC3)=CC4=C2CCC4
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 409.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Harrison D, Billinton A, Bock MG, Doedens JR, Gabel CA, Holloway MK, Porter RA, Reader V, Scanlon J, Schooley K, Watt AP. Discovery of Clinical Candidate NT-0796, a Brain-Penetrant and Highly Potent NLRP3 Inflammasome Inhibitor for Neuroinflammatory Disorders. J Med Chem. 2023 Oct 24. doi: 10.1021/acs.jmedchem.3c01398. Epub ahead of print. PMID: 37874905.