NDT-19795 | CAS#2272917-12-9 | Metabolite

MedKoo Cat#: 145040 | Name: NDT-19795

Description:

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

NDT-19795 is a metabolite of NT-0796, and is metabolized by enzyme, carboxylesterase-1 (CES-1). NDT-19795 is the carboxylic acid active species.

Chemical Structure

NDT-19795

CAS#2272917-12-9

Theoretical Analysis

MedKoo Cat#: 145040

Name: NDT-19795

CAS#: 2272917-12-9

Chemical Formula: C20H21N3O4

Exact Mass: 367.1532

Molecular Weight: 367.41

Elemental Analysis: C, 65.38; H, 5.76; N, 11.44; O, 17.42

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

NDT-19795; NDT 19795; NDT19795

IUPAC/Chemical Name

(R)-2-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)oxy)-3-(pyrimidin-2-yl)propanoic acid

InChi Key

OYXWZQHGHRELLY-MRXNPFEDSA-N

InChi Code

1S/C20H21N3O4/c24-19(25)16(11-17-21-8-3-9-22-17)27-20(26)23-18-14-6-1-4-12(14)10-13-5-2-7-15(13)18/h3,8-10,16H,1-2,4-7,11H2,(H,23,26)(H,24,25)/t16-/m1/s1

SMILES Code

OC(=O)[C@@H](CC1=NC=CC=N1)OC(=O)NC2=C3CCCC3=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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 367.41 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.

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

1: 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 Nov 9;66(21):14897-14911. doi: 10.1021/acs.jmedchem.3c01398. Epub 2023 Oct 24. PMID: 37874905. 2: Smolak P, Nguyen M, Diamond C, Wescott H, Doedens JR, Schooley K, Snouwaert JN, Bock MG, Harrison D, Watt AP, Koller BH, Gabel CA. Target Cell Activation of a Structurally Novel NOD-Like Receptor Pyrin Domain-Containing Protein 3 Inhibitor NT-0796 Enhances Potency. J Pharmacol Exp Ther. 2024 Feb 15;388(3):798-812. doi: 10.1124/jpet.123.001941. PMID: 38253384.