MedKoo Cat#: 127601 | Name: NXN-188

Description:

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

NXN-188 is a first-in-class, dual-action small molecule incorporating both neuronal nitric oxide synthase (nNOS) inhibition and 5-HT agonism that is being developed for the treatment of acute migraine.

Chemical Structure

NXN-188
NXN-188
CAS#6634-56-6

Theoretical Analysis

MedKoo Cat#: 127601

Name: NXN-188

CAS#: 6634-56-6

Chemical Formula: C27H36N2O6

Exact Mass: 484.2573

Molecular Weight: 484.59

Elemental Analysis: C, 66.92; H, 7.49; N, 5.78; O, 19.81

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
NXN-188; NXN188; NXN 188
IUPAC/Chemical Name
4,4-bis[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]pentanoic acid
InChi Key
JWNUBAIGCVTLMJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H36N2O6/c1-27(7-6-26(32)33,22-2-4-24(30)20(16-22)18-28-8-12-34-13-9-28)23-3-5-25(31)21(17-23)19-29-10-14-35-15-11-29/h2-5,16-17,30-31H,6-15,18-19H2,1H3,(H,32,33)
SMILES Code
CC(C1=CC=C(O)C(CN2CCOCC2)=C1)(C3=CC=C(O)C(CN4CCOCC4)=C3)CCC(O)=O
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 484.59 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: Bhatt DK, Gupta S, Jansen-Olesen I, Andrews JS, Olesen J. NXN-188, a selective nNOS inhibitor and a 5-HT1B/1D receptor agonist, inhibits CGRP release in preclinical migraine models. Cephalalgia. 2013 Jan;33(2):87-100. doi: 10.1177/0333102412466967. Epub 2012 Nov 15. PMID: 23155193. 2: Vaughan D, Speed J, Medve R, Andrews JS. Safety and pharmacokinetics of NXN-188 after single and multiple doses in five phase I, randomized, double- blind, parallel studies in healthy adult volunteers. Clin Ther. 2010 Jan;32(1):146-60. doi: 10.1016/j.clinthera.2010.01.006. PMID: 20171420. 3: Hougaard A, Hauge AW, Guo S, Tfelt-Hansen P. The nitric oxide synthase inhibitor and serotonin-receptor agonist NXN-188 during the aura phase of migraine with aura: A randomized, double-blind, placebo-controlled cross-over study. Scand J Pain. 2013 Jan 1;4(1):48-52. doi: 10.1016/j.sjpain.2012.08.002. PMID: 29913885. 4: Lionetto L, Negro A, Palmisani S, Gentile G, Del Fiore MR, Mercieri M, Simmaco M, Smith T, Al-Kaisy A, Arcioni R, Martelletti P. Emerging treatment for chronic migraine and refractory chronic migraine. Expert Opin Emerg Drugs. 2012 Sep;17(3):393-406. doi: 10.1517/14728214.2012.709846. Epub 2012 Aug 3. PMID: 22862686.