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MedKoo Cat#: 465446 | Name: CF3CN

Description:

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

CF3CN is a novel activator of TrkB neurotrophic signaling in primary neurons and mouse brains, interacting with the TrkB LRM/CC2 domain, blocking delta-secretase activation, attenuating AD pathologies, and alleviating cognitive dysfunctions in 5xFAD.

Chemical Structure

CF3CN
CF3CN
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465446

Name: CF3CN

CAS#: unknown

Chemical Formula: C18H8F3N3O2

Exact Mass: 355.0569

Molecular Weight: 355.28

Elemental Analysis: C, 60.85; H, 2.27; F, 16.04; N, 11.83; O, 9.01

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
CF3CN; CF 3CN; CF-3CN;
IUPAC/Chemical Name
4-(6-oxo-2-(trifluoromethyl)-3,6-dihydrochromeno[7,8-d]imidazol-8-yl)benzonitrile
InChi Key
XWJPZCVKIGMYPF-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H8F3N3O2/c19-18(20,21)17-23-12-6-5-11-13(25)7-14(26-16(11)15(12)24-17)10-3-1-9(8-22)2-4-10/h1-7H,(H,23,24)
SMILES Code
N#CC1=CC=C(C2=CC(C3=CC=C4C(N=C(C(F)(F)F)N4)=C3O2)=O)C=C1
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 355.28 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: Liao J, Chen C, Ahn EH, Liu X, Li H, Edgington-Mitchell LE, Lu Z, Ming S, Ye K. Targeting both BDNF/TrkB pathway and delta-secretase for treating Alzheimer's disease. Neuropharmacology. 2021 Jul 31;197:108737. doi: 10.1016/j.neuropharm.2021.108737. Epub ahead of print. PMID: 34343610. 2: Chen C, Ahn EH, Liu X, Wang ZH, Luo S, Liao J, Ye K. Optimized TrkB Agonist Ameliorates Alzheimer's Disease Pathologies and Improves Cognitive Functions via Inhibiting Delta-Secretase. ACS Chem Neurosci. 2021 Jul 7;12(13):2448-2461. doi: 10.1021/acschemneuro.1c00181. Epub 2021 Jun 9. PMID: 34106682; PMCID: PMC8269693. 3: Zhang X, Li Y, Shao X, Xie C, Chen D, Tian S, Xiao S, Tang J. Influence of Oxygen on the Thermal Decomposition Properties of C4F7N-N2-O2 as an Eco-Friendly Gas Insulating Medium. ACS Omega. 2019 Oct 28;4(20):18616-18626. doi: 10.1021/acsomega.9b02423. PMID: 31737821; PMCID: PMC6854824. 4: Yu X, Hou H, Wang B. Mechanistic and Kinetic Investigations on the Thermal Unimolecular Reaction of Heptafluoroisobutyronitrile. J Phys Chem A. 2018 Sep 27;122(38):7704-7715. doi: 10.1021/acs.jpca.8b07189. Epub 2018 Sep 18. PMID: 30188718. 5: Seki T, Takamatsu Y, Ito H. A Screening Approach for the Discovery of Mechanochromic Gold(I) Isocyanide Complexes with Crystal-to-Crystal Phase Transitions. J Am Chem Soc. 2016 May 18;138(19):6252-60. doi: 10.1021/jacs.6b02409. Epub 2016 May 10. PMID: 27070308. 6: Baxter AF, Christe KO, Haiges R. Convenient Access to α-Fluorinated Alkylammonium Salts. Angew Chem Int Ed Engl. 2015 Nov 23;54(48):14535-8. doi: 10.1002/anie.201507177. Epub 2015 Oct 12. PMID: 26457594. 7: Lin W, Wu A, Lu X, Tang X, Obenchain DA, Novick SE. Internal dynamics in the molecular complex of CF3CN and H2O. Phys Chem Chem Phys. 2015 Jul 14;17(26):17266-70. doi: 10.1039/c5cp01550b. PMID: 26073642. 8: Alzoubi BM, Walther M, Puchta R, van Eldik R. Apparent or real water exchange reactions on [Zn(H2O)4(L)](2+)·2H2O (L = sp-nitrogen donor ligands)? A quantum chemical investigation. Dalton Trans. 2012 Jun 21;41(23):6932-41. doi: 10.1039/c2dt30158j. Epub 2012 Mar 28. PMID: 22453752. 9: Sun J, Tang Y, Jia X, Wang F, Sun H, Zhang Y, Tang S, Wang F, Chang Y, Lu Y, Pan X, Zhang J, Wang R. Computational study of oxygen atom ((3)P and (1)D) reactions with CF(3)CN. Phys Chem Chem Phys. 2010 Sep 28;12(36):10846-56. doi: 10.1039/c004284f. Epub 2010 Jul 26. PMID: 20657941. 10: De Rosa M, Arnold D. Electronic and steric effects on the mechanism of the inverse electron demand Diels-Alder reaction of 2-aminopyrroles with 1,3,5-triazines: identification of five intermediates by 1H, 13C, 15N, and 19F NMR spectroscopy. J Org Chem. 2009 Jan 2;74(1):319-28. doi: 10.1021/jo8019626. PMID: 19053577. 11: Kuznetsov ML, Kukushkin VY. Theoretical study of reactant activation in 1,3-dipolar cycloadditions of cyclic nitrones to free and Pt-bound nitriles. J Org Chem. 2006 Jan 20;71(2):582-92. doi: 10.1021/jo051958l. PMID: 16408968. 12: Kingston M, Chen SJ, Lork E, Mews R. Anionic triazine systems. Dalton Trans. 2004 May 7;(9):1400-4. doi: 10.1039/b402527j. Epub 2004 Apr 5. PMID: 15252633. 13: Wagner G. Theoretical study of the [2+3] cycloaddition of nitrones to nitriles-influence of nitrile substituent, solvent and Lewis acid coordination. Chemistry. 2003 Apr 4;9(7):1503-10. doi: 10.1002/chem.200390172. PMID: 12658647.

View History

CFLZ-567

CFLZ-567