MedKoo Cat#: 529315 | Name: CNS-5161

Description:

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

CNS-5161 is an NMDA antagonist potentially for the treatment of neuropathic pain and cancer related.

Chemical Structure

CNS-5161
CNS-5161
CAS#160754-76-7

Theoretical Analysis

MedKoo Cat#: 529315

Name: CNS-5161

CAS#: 160754-76-7

Chemical Formula: C16H18ClN3S2

Exact Mass: 351.0631

Molecular Weight: 351.91

Elemental Analysis: C, 54.61; H, 5.16; Cl, 10.07; N, 11.94; S, 18.22

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
CNS-5161; CNS5161; CNS 5161
IUPAC/Chemical Name
3-(2-chloro-5-(methylthio)phenyl)-1-methyl-1-(3-(methylthio)phenyl)guanidine
InChi Key
JHVHEDNLONERHY-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
SMILES Code
N=C(NC1=CC(SC)=CC=C1Cl)N(C)C2=CC=CC(SC)=C2
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 351.91 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: Biegon A, Gibbs A, Alvarado M, Ono M, Taylor S. In vitro and in vivo characterization of [3H]CNS-5161--a use-dependent ligand for the N-methyl-D-aspartate receptor in rat brain. Synapse. 2007 Aug;61(8):577-86. PubMed PMID: 17455246. 2: Forst T, Smith T, Schütte K, Marcus P, Pfützner A; CNS 5161 Study Group.. Dose escalating safety study of CNS 5161 HCl, a new neuronal glutamate receptor antagonist (NMDA) for the treatment of neuropathic pain. Br J Clin Pharmacol. 2007 Jul;64(1):75-82. PubMed PMID: 17391323; PubMed Central PMCID: PMC2000615. 3: Walters MR, Bradford AP, Fischer J, Lees KR. Early clinical experience with the novel NMDA receptor antagonist CNS 5161. Br J Clin Pharmacol. 2002 Mar;53(3):305-11. PubMed PMID: 11874394; PubMed Central PMCID: PMC1874317. 4: McGinnity CJ, Hammers A, Riaño Barros DA, Luthra SK, Jones PA, Trigg W, Micallef C, Symms MR, Brooks DJ, Koepp MJ, Duncan JS. Initial evaluation of 18F-GE-179, a putative PET Tracer for activated N-methyl D-aspartate receptors. J Nucl Med. 2014 Mar;55(3):423-30. doi: 10.2967/jnumed.113.130641. PubMed PMID: 24525206. 5: Ahmed I, Bose SK, Pavese N, Ramlackhansingh A, Turkheimer F, Hotton G, Hammers A, Brooks DJ. Glutamate NMDA receptor dysregulation in Parkinson's disease with dyskinesias. Brain. 2011 Apr;134(Pt 4):979-86. doi: 10.1093/brain/awr028. PubMed PMID: 21371994. 6: Dhawan V, Robeson W, Bjelke D, Chaly T, Graf K, Hellman M, Zhuo L, Mackay M, Eidelberg D. Human Radiation Dosimetry for the N-Methyl-D-Aspartate Receptor Radioligand 11C-CNS5161. J Nucl Med. 2015 Jun;56(6):869-72. doi: 10.2967/jnumed.114.152447. PubMed PMID: 25931480. 7: Naruse M, Ogawara K, Kimura T, Konishi R, Higaki K. Development of transdermal therapeutic formulation of CNS5161, a novel NMDA receptor antagonist, by utilizing pressure-sensitive adhesives II: improved transdermal absorption and evaluation of efficacy and safety. Eur J Pharm Sci. 2014 Feb 14;52:86-94. doi: 10.1016/j.ejps.2013.10.019. PubMed PMID: 24215737. 8: Naruse M, Ogawara K, Kimura T, Konishi R, Higaki K. Development of transdermal therapeutic formulation of CNS5161, a novel N-methyl-D-aspartate receptor antagonist, by utilizing pressure-sensitive adhesives I. Biol Pharm Bull. 2012;35(3):321-8. PubMed PMID: 22382317. 9: Robins EG, Zhao Y, Khan I, Wilson A, Luthra SK, Rstad E. Synthesis and in vitro evaluation of (18)F-labelled S-fluoroalkyl diarylguanidines: Novel high-affinity NMDA receptor antagonists for imaging with PET. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1749-51. doi: 10.1016/j.bmcl.2010.01.052. PubMed PMID: 20138515. 10: Danysz W, Parsons CG. Neuroprotective potential of ionotropic glutamate receptor antagonists. Neurotox Res. 2002 Mar;4(2):119-26. PubMed PMID: 12829411.