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MedKoo Cat#: 319858 | Name: Sofinicline
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Description:

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

Sofinicline, also known as ABT-894 and A-422894, is a novel nicotinic acetylcholine receptor agonist under development for the treatment of attention-deficit/hyperactivity disorder. Sofinicline appears to be well tolerated and showing efficacy similar to that of atomoxetine.

Chemical Structure

Sofinicline
CAS#799279-80-4 (free base)

Theoretical Analysis

MedKoo Cat#: 319858

Name: Sofinicline

CAS#: 799279-80-4 (free base)

Chemical Formula: C10H11Cl2N3

Exact Mass: 243.0330

Molecular Weight: 244.12

Elemental Analysis: C, 49.20; H, 4.54; Cl, 29.04; N, 17.21

Price and Availability

Size Price Availability Quantity
25mg USD 2,950.00 2 Weeks
50mg USD 4,650.00 2 Weeks
100mg USD 6,950.00 2 Weeks
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Related CAS #
799279-87-1 (tosylate) 799279-85-9 (tartrate) 869792-84-7 (acetate) 869792-87-0 (mesylate) 869792-90-5 (HCl) 799279-80-4 (free base) 876170-44-4 (besylate)
Synonym
ABT-894; ABT 894; ABT894; A-422894; A-422894.0; A 422894.0; Sofinicline.
IUPAC/Chemical Name
(1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane
InChi Key
MBQYQLWSBRANKQ-IMTBSYHQSA-N
InChi Code
InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1
SMILES Code
ClC1=C(Cl)C=C(N2C[C@]3([H])CN[C@]3([H])C2)C=N1
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, not in water
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 244.12 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: Zhang D, McGregor M, Bordia T, Perez XA, McIntosh JM, Decker MW, Quik M. α7 nicotinic receptor agonists reduce levodopa-induced dyskinesias with severe nigrostriatal damage. Mov Disord. 2015 Dec;30(14):1901-11. doi: 10.1002/mds.26453. Epub 2015 Nov 17. PubMed PMID: 26573698; PubMed Central PMCID: PMC4715565. 2: Zhang D, McGregor M, Decker MW, Quik M. The α7 nicotinic receptor agonist ABT-107 decreases L-Dopa-induced dyskinesias in parkinsonian monkeys. J Pharmacol Exp Ther. 2014 Oct;351(1):25-32. doi: 10.1124/jpet.114.216283. Epub 2014 Jul 17. PubMed PMID: 25034405; PubMed Central PMCID: PMC4165030. 3: Fleisher C, McGough J. Sofinicline: a novel nicotinic acetylcholine receptor agonist in the treatment of attention-deficit/hyperactivity disorder. Expert Opin Investig Drugs. 2014 Aug;23(8):1157-63. doi: 10.1517/13543784.2014.934806. Epub 2014 Jun 26. Review. PubMed PMID: 24965900. 4: Quik M, Zhang D, Perez XA, Bordia T. Role for the nicotinic cholinergic system in movement disorders; therapeutic implications. Pharmacol Ther. 2014 Oct;144(1):50-9. doi: 10.1016/j.pharmthera.2014.05.004. Epub 2014 May 14. Review. PubMed PMID: 24836728; PubMed Central PMCID: PMC4149916. 5: Zhang D, Bordia T, McGregor M, McIntosh JM, Decker MW, Quik M. ABT-089 and ABT-894 reduce levodopa-induced dyskinesias in a monkey model of Parkinson's disease. Mov Disord. 2014 Apr;29(4):508-17. doi: 10.1002/mds.25817. Epub 2014 Feb 11. PubMed PMID: 24515328; PubMed Central PMCID: PMC3990279. 6: Liu H, Fu W, Wetter J, Xu H, Guan Z, Stuart P. Metabolism and disposition of ABT-894, a novel α4β2 neuronal acetylcholine receptor agonist, in mice and monkeys. Xenobiotica. 2014 Jun;44(6):531-40. doi: 10.3109/00498254.2013.855836. Epub 2014 Jan 30. PubMed PMID: 24479584. 7: Zhang J, Xiao YD, Jordan KG, Hammond PS, Van Dyke KM, Mazurov AA, Speake JD, Lippiello PM, James JW, Letchworth SR, Bencherif M, Hauser TA. Analgesic effects mediated by neuronal nicotinic acetylcholine receptor agonists: correlation with desensitization of α4β2* receptors. Eur J Pharm Sci. 2012 Dec 18;47(5):813-23. doi: 10.1016/j.ejps.2012.09.014. Epub 2012 Oct 2. PubMed PMID: 23036283. 8: Bain EE, Robieson W, Pritchett Y, Garimella T, Abi-Saab W, Apostol G, McGough JJ, Saltarelli MD. A randomized, double-blind, placebo-controlled phase 2 study of α4β2 agonist ABT-894 in adults with ADHD. Neuropsychopharmacology. 2013 Feb;38(3):405-13. doi: 10.1038/npp.2012.194. Epub 2012 Oct 3. PubMed PMID: 23032073; PubMed Central PMCID: PMC3547191. 9: Rowbotham MC, Arslanian A, Nothaft W, Duan WR, Best AE, Pritchett Y, Zhou Q, Stacey BR. Efficacy and safety of the α4β2 neuronal nicotinic receptor agonist ABT-894 in patients with diabetic peripheral neuropathic pain. Pain. 2012 Apr;153(4):862-8. doi: 10.1016/j.pain.2012.01.009. Epub 2012 Mar 3. PubMed PMID: 22386472. 10: Jain KK. Modulators of nicotinic acetylcholine receptors as analgesics. Curr Opin Investig Drugs. 2004 Jan;5(1):76-81. Review. PubMed PMID: 14983978.