MedKoo Cat#: 465459 | Name: ARN19689

Description:

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

ARN19689 is a Non-Covalent N‑Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitor for Oral Administration. ARN19689 was found to inhibit human NAAA in the low nanomolar range (IC50 = 42 nM) with a non-covalent mechanism of action. In light of its favorable biochemical, in vitro and in vivo drug-like profile, sulfonamide 50 could be regarded as a promising pharmacological tool to be further investigated in the field of inflammatory conditions.

Chemical Structure

ARN19689
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465459

Name: ARN19689

CAS#: unknown

Chemical Formula: C19H27N5O4S

Exact Mass: 421.1784

Molecular Weight: 421.52

Elemental Analysis: C, 54.14; H, 6.46; N, 16.62; O, 15.18; S, 7.61

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.
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Related CAS #
No Data
Synonym
ARN19689; ARN 19689; ARN-19689;
IUPAC/Chemical Name
(1R,3r,5S)-8-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-((5-(ethoxymethyl)pyrazin-2-yl)oxy)-8-azabicyclo[3.2.1]octane
InChi Key
FVIHLKFGYOKIDE-FVQHAEBGSA-N
InChi Code
InChI=1S/C19H27N5O4S/c1-4-27-11-14-9-21-18(10-20-14)28-17-7-15-5-6-16(8-17)24(15)29(25,26)19-12(2)22-23-13(19)3/h9-10,15-17H,4-8,11H2,1-3H3,(H,22,23)/t15-,16+,17+
SMILES Code
CC1=NNC(C)=C1S(N2[C@@H]3C[C@@H](OC4=NC=C(COCC)N=C4)C[C@H]2CC3)(=O)=O
Appearance
Solid powder
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 421.52 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
1: Di Fruscia P, Carbone A, Bottegoni G, Berti F, Giacomina F, Ponzano S, Pagliuca C, Fiasella A, Pizzirani D, Ortega JA, Nuzzi A, Tarozzo G, Mengatto L, Giampà R, Penna I, Russo D, Romeo E, Summa M, Bertorelli R, Armirotti A, Bertozzi SM, Reggiani A, Bandiera T, Bertozzi F. Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration. J Med Chem. 2021 Sep 1. doi: 10.1021/acs.jmedchem.1c00575. Epub ahead of print. PMID: 34469137.