MedKoo Cat#: 523110 | Name: Dianicline

Description:

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

Dianicline (SSR-591,813) is a drug developed by Sanofi-Aventis which acts as a partial agonist at neural nicotinic acetylcholine receptors. It is subtype-selective, binding primarily to the α4β2 subtype. It is being developed as a medication for the treatment of nicotine dependence to assist in smoking cessation. Dianicline is very similar to the already marketed drug varenicline and it is unclear what advantages it will have over the older drug, although it may have an improved side effect profile. It has been through human trials up to Phase II, although results have not yet been reported. Drug development has been discontinued after reporting of unfavourable results during Phase III trials. (Source: https://en.wikipedia.org/wiki/Dianicline).

Chemical Structure

Dianicline
CAS#292634-27-6

Theoretical Analysis

MedKoo Cat#: 523110

Name: Dianicline

CAS#: 292634-27-6

Chemical Formula: C13H16N2O

Exact Mass: 216.1263

Molecular Weight: 216.28

Elemental Analysis: C, 72.19; H, 7.46; N, 12.95; O, 7.40

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
Dianicline; SSR-591,813; SSR 591,813; SSR591,813.
IUPAC/Chemical Name
(5aS,8S,10aR)-5a,6,9,10-Tetrahydro-7H,11H-8,10a-methanopyrido[2',3':5,6]pyrano[2,3-d]azepine
InChi Key
SUPRUPHAEXPGPF-QWHCGFSZSA-N
InChi Code
InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1
SMILES Code
[H][C@]12CC[N@@](C3)CC[C@]13CC4=NC=CC=C4O2
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 216.28 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: Blackburn MA, Kapron J, Mackie J, Firth J, Harrison M, McDougall S. Identification and subsequent removal of an interference by FAIMS in the bioanalysis of dianicline in animal plasma. Bioanalysis. 2011 Sep;3(18):2119-27. doi: 10.4155/bio.11.194. PubMed PMID: 21942522. 2: Tonstad S, Holme I, Tønnesen P. Dianicline, a novel α4β2 nicotinic acetylcholine receptor partial agonist, for smoking cessation: a randomized placebo-controlled clinical trial. Nicotine Tob Res. 2011 Jan;13(1):1-6. doi: 10.1093/ntr/ntq191. Epub 2010 Nov 1. PubMed PMID: 21041839. 3: Rollema H, Shrikhande A, Ward KM, Tingley FD 3rd, Coe JW, O'Neill BT, Tseng E, Wang EQ, Mather RJ, Hurst RS, Williams KE, de Vries M, Cremers T, Bertrand S, Bertrand D. Pre-clinical properties of the alpha4beta2 nicotinic acetylcholine receptor partial agonists varenicline, cytisine and dianicline translate to clinical efficacy for nicotine dependence. Br J Pharmacol. 2010 May;160(2):334-45. doi: 10.1111/j.1476-5381.2010.00682.x. Epub 2010 Mar 22. PubMed PMID: 20331614; PubMed Central PMCID: PMC2874855.