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MedKoo Cat#: 530114 | Name: Befiradol (free base)

Description:

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

Befiradol (free base) is a highly selective and potent 5-HT1A receptor agonist potentially for the treatment of drug-induced dyskinesia in patients with Parkinson's disease.

Chemical Structure

Befiradol (free base)
Befiradol (free base)
CAS#208110-64-9

Theoretical Analysis

MedKoo Cat#: 530114

Name: Befiradol (free base)

CAS#: 208110-64-9

Chemical Formula: C20H22ClF2N3O

Exact Mass: 393.1400

Molecular Weight: 393.86

Elemental Analysis: C, 60.99; H, 5.63; Cl, 9.00; F, 9.65; N, 10.67; O, 4.06

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
F-13640; F13640; F 13640; NLX-112; NLX112; NLX 112
IUPAC/Chemical Name
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
InChi Key
HADZVNVXBKUQNB-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H22ClF2N3O/c1-14-3-6-18(24-12-14)25(2)13-20(23)7-9-26(10-8-20)19(27)15-4-5-17(22)16(21)11-15/h3-6,11-12H,7-10,13H2,1-2H3
SMILES Code
O=C(C1=CC=C(F)C(Cl)=C1)N2CCC(CN(C3=NC=C(C)C=C3)C)(F)CC2
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
Related CAS# 208110-64-9(Befiradol free base) 208110-65-0(Befiradol Fumarate)

Preparing Stock Solutions

The following data is based on the product molecular weight 393.86 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: McCreary AC, Varney MA, Newman-Tancredi A. The novel 5-HT1A receptor agonist, NLX-112 reduces l-DOPA-induced abnormal involuntary movements in rat: A chronic administration study with microdialysis measurements. Neuropharmacology. 2016 Jun;105:651-60. doi: 10.1016/j.neuropharm.2016.01.013. PubMed PMID: 26777281. 2: Iderberg H, McCreary AC, Varney MA, Kleven MS, Koek W, Bardin L, Depoortère R, Cenci MA, Newman-Tancredi A. NLX-112, a novel 5-HT1A receptor agonist for the treatment of L-DOPA-induced dyskinesia: Behavioral and neurochemical profile in rat. Exp Neurol. 2015 Sep;271:335-50. doi: 10.1016/j.expneurol.2015.05.021. PubMed PMID: 26037043. 3: Ren J, Ding X, Greer JJ. 5-HT1A receptor agonist Befiradol reduces fentanyl-induced respiratory depression, analgesia, and sedation in rats. Anesthesiology. 2015 Feb;122(2):424-34. doi: 10.1097/ALN.0000000000000490. PubMed PMID: 25313880. 4: Lladó-Pelfort L, Assié MB, Newman-Tancredi A, Artigas F, Celada P. In vivo electrophysiological and neurochemical effects of the selective 5-HT1A receptor agonist, F13640, at pre- and postsynaptic 5-HT1A receptors in the rat. Psychopharmacology (Berl). 2012 May;221(2):261-72. doi: 10.1007/s00213-011-2569-9. PubMed PMID: 22147258. 5: Bollinger S, Hübner H, Heinemann FW, Meyer K, Gmeiner P. Novel pyridylmethylamines as highly selective 5-HT(1A) superagonists. J Med Chem. 2010 Oct 14;53(19):7167-79. doi: 10.1021/jm100835q. PubMed PMID: 20860381. 6: Heusler P, Palmier C, Tardif S, Bernois S, Colpaert FC, Cussac D. [(3)H]-F13640, a novel, selective and high-efficacy serotonin 5-HT(1A) receptor agonist radioligand. Naunyn Schmiedebergs Arch Pharmacol. 2010 Oct;382(4):321-30. doi: 10.1007/s00210-010-0551-4. PubMed PMID: 20799027. 7: Brenchat A, Romero L, García M, Pujol M, Burgueño J, Torrens A, Hamon M, Baeyens JM, Buschmann H, Zamanillo D, Vela JM. 5-HT7 receptor activation inhibits mechanical hypersensitivity secondary to capsaicin sensitization in mice. Pain. 2009 Feb;141(3):239-47. doi: 10.1016/j.pain.2008.11.009. PubMed PMID: 19118950. 8: Deseure K, Bréand S, Colpaert FC. Curative-like analgesia in a neuropathic pain model: parametric analysis of the dose and the duration of treatment with a high-efficacy 5-HT(1A) receptor agonist. Eur J Pharmacol. 2007 Jul 30;568(1-3):134-41. PubMed PMID: 17512927. 9: Colpaert FC. 5-HT(1A) receptor activation: new molecular and neuroadaptive mechanisms of pain relief. Curr Opin Investig Drugs. 2006 Jan;7(1):40-7. Review. PubMed PMID: 16425670. 10: Colpaert FC, Deseure K, Stinus L, Adriaensen H. High-efficacy 5-hydroxytryptamine 1A receptor activation counteracts opioid hyperallodynia and affective conditioning. J Pharmacol Exp Ther. 2006 Feb;316(2):892-9. PubMed PMID: 16254131. 11: Kiss I, Degryse AD, Bardin L, Gomez de Segura IA, Colpaert FC. The novel analgesic, F 13640, produces intra- and postoperative analgesia in a rat model of surgical pain. Eur J Pharmacol. 2005 Oct 31;523(1-3):29-39. PubMed PMID: 16226246. 12: Buritova J, Larrue S, Aliaga M, Besson JM, Colpaert F. Effects of the high-efficacy 5-HT1A receptor agonist, F 13640 in the formalin pain model: a c-Fos study. Eur J Pharmacol. 2005 May 9;514(2-3):121-30. PubMed PMID: 15910798. 13: You HJ, Colpaert FC, Arendt-Nielsen L. The novel analgesic and high-efficacy 5-HT1A receptor agonist F 13640 inhibits nociceptive responses, wind-up, and after-discharges in spinal neurons and withdrawal reflexes. Exp Neurol. 2005 Jan;191(1):174-83. PubMed PMID: 15589524. 14: Deseure KR, Adriaensen HF, Colpaert FC. Effects of the combined continuous administration of morphine and the high-efficacy 5-HT1A agonist, F 13640 in a rat model of trigeminal neuropathic pain. Eur J Pain. 2004 Dec;8(6):547-54. PubMed PMID: 15531223. 15: Bardin L, Assié MB, Pélissou M, Royer-Urios I, Newman-Tancredi A, Ribet JP, Sautel F, Koek W, Colpaert FC. Dual, hyperalgesic, and analgesic effects of the high-efficacy 5-hydroxytryptamine 1A (5-HT1A) agonist F 13640 [(3-chloro-4-fluoro-phenyl)-[4-fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-me thyl}piperidin-1-yl]methanone, fumaric acid salt]: relationship with 5-HT1A receptor occupancy and kinetic parameters. J Pharmacol Exp Ther. 2005 Mar;312(3):1034-42. PubMed PMID: 15528450. 16: Colpaert FC, Wu WP, Hao JX, Royer I, Sautel F, Wiesenfeld-Hallin Z, Xu XJ. High-efficacy 5-HT1A receptor activation causes a curative-like action on allodynia in rats with spinal cord injury. Eur J Pharmacol. 2004 Aug 16;497(1):29-33. PubMed PMID: 15321732. 17: De Laat AP. Pain in Europe. IV. Fourth Congress of the European Federation of IASP Chapters (EFIC). J Orofac Pain. 2004 Winter;18(1):69-70. PubMed PMID: 15022537. 18: Wu WP, Hao JX, Xu XJ, Wiesenfeld-Hallin Z, Koek W, Colpaert FC. The very-high-efficacy 5-HT1A receptor agonist, F 13640, preempts the development of allodynia-like behaviors in rats with spinal cord injury. Eur J Pharmacol. 2003 Oct 8;478(2-3):131-7. PubMed PMID: 14575797. 19: Pauwels PJ, Colpaert FC. Ca2+ responses in Chinese hamster ovary-K1 cells demonstrate an atypical pattern of ligand-induced 5-HT1A receptor activation. J Pharmacol Exp Ther. 2003 Nov;307(2):608-14. PubMed PMID: 12970382. 20: Buritova J, Tarayre JP, Besson JM, Colpaert F. The novel analgesic and high-efficacy 5-HT1A receptor agonist, F 13640 induces c-Fos protein expression in spinal cord dorsal horn neurons. Brain Res. 2003 Jun 6;974(1-2):212-21. PubMed PMID: 12742639.