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MedKoo Cat#: 326852 | Name: Bencycloquidium Bromide

Description:

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

Bencycloquidium Bromide, also known as BCQB, is a muscarinic M3 antagonist potentially for the treatment of allergic rhinitis and chronic obstructive. Bencycloquidium bromide inhibits nasal hypersecretion in a rat model of allergic rhinitis. BCQB showed high affinity toward the M(3) receptor in Chinese hamster ovary (CHO) cells (M(3) pKi=8.21, M(2) pKi=7.21, and M(1) pKi=7.86); pA(2)=8.85, 8.71 and 8.57 in methacholine-induced contraction of trachea, ileum and urinary bladder, 8.19 in methacholine-induced bradycardia of right atrium in vitro, respectively.

Chemical Structure

Bencycloquidium Bromide
Bencycloquidium Bromide
CAS#860804-18-8

Theoretical Analysis

MedKoo Cat#: 326852

Name: Bencycloquidium Bromide

CAS#: 860804-18-8

Chemical Formula: C21H32BrNO2

Exact Mass:

Molecular Weight: 410.40

Elemental Analysis: C, 61.46; H, 7.86; Br, 19.47; N, 3.41; O, 7.80

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 #
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Synonym
Bencycloquidium Bromide; BCQB.
IUPAC/Chemical Name
3-(2-cyclopentyl-2-hydroxy-2-phenylethoxy)-1-methylquinuclidin-1-ium bromide
InChi Key
LMUJEWVKOCYOQL-UHFFFAOYSA-M
InChi Code
InChI=1S/C21H32NO2.BrH/c1-22-13-11-17(12-14-22)20(15-22)24-16-21(23,19-9-5-6-10-19)18-7-3-2-4-8-18;/h2-4,7-8,17,19-20,23H,5-6,9-16H2,1H3;1H/q+1;/p-1
SMILES Code
OC(COC1C2CC[N+](CC2)(C1)C)(C3=CC=CC=C3)C4CCCC4.[Br-]
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 410.40 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 SJ, Jiang JX, Ren QQ, Xie QM, Xiong YK. Effects of the inhalation of the m3 receptor antagonist bencycloquidium bromide in a mouse cigarette smoke-induced airway inflammation model. Drug Dev Res. 2015 May;76(3):123-31. doi: 10.1002/ddr.21248. Epub 2015 May 11. PubMed PMID: 25958838. 2: Long R, Zhou Y, Huang J, Peng L, Meng L, Zhu S, Li J. Bencycloquidium bromide inhibits nasal hypersecretion in a rat model of allergic rhinitis. Inflamm Res. 2015 Apr;64(3-4):213-23. doi: 10.1007/s00011-015-0800-6. Epub 2015 Feb 18. PubMed PMID: 25690567. 3: Agbokponto JE, Luo Z, Liu R, Liu Z, Liang M, Ding L. Study of pharmacokinetic interaction of paroxetine and roxithromycin on bencycloquidium bromide in healthy subjects. Eur J Pharm Sci. 2015 Mar 10;69:37-43. doi: 10.1016/j.ejps.2014.12.019. Epub 2015 Jan 2. PubMed PMID: 25559065. 4: Agbokponto JE, Zhang L, Hu L, Feng H, Ding L. In vitro metabolism of bencycloquidium bromide and its inhibitory effects on human P450 isoenzymes: implication of CYP2D6, CYP2C19 and CYP3A4/5. Eur J Drug Metab Pharmacokinet. 2016 Feb;41(1):69-77. doi: 10.1007/s13318-014-0237-2. Epub 2014 Nov 26. PubMed PMID: 25425116. 5: Sun L, Ding L, Wang Y, Zhou W, Yan Z, Sun W, Zhang H, Ou N, Chen X. Pharmacokinetics, safety and tolerability of Bencycloquidium bromide, a novel selective muscarinic M1/M3 receptor antagonist, after single and multiple intranasal doses in healthy chinese subjects: an open-label, single-center, first-in-human study. Drugs R D. 2012 Mar 1;12(1):17-28. doi: 10.2165/11599330-000000000-00000. PubMed PMID: 22339483; PubMed Central PMCID: PMC3585954. 6: Cao R, Dong XW, Jiang JX, Yan XF, He JS, Deng YM, Li FF, Bao MJ, Xie YC, Chen XP, Xie QM. M(3) muscarinic receptor antagonist bencycloquidium bromide attenuates allergic airway inflammation, hyperresponsiveness and remodeling in mice. Eur J Pharmacol. 2011 Mar 25;655(1-3):83-90. doi: 10.1016/j.ejphar.2011.01.024. Epub 2011 Jan 28. PubMed PMID: 21277298. 7: Jiang JX, Cao R, Deng WD, Jin F, Dong XW, Zhu Y, Chen XP, Xie YC, Bao MJ, Li FF, Xie QM. Characterization of bencycloquidium bromide, a novel muscarinic M(3) receptor antagonist in guinea pig airways. Eur J Pharmacol. 2011 Mar 25;655(1-3):74-82. doi: 10.1016/j.ejphar.2011.01.017. Epub 2011 Jan 24. PubMed PMID: 21272572. 8: Li J, He H, Zhou Y, Yuan P, Chen X. Subchronic toxicity and toxicokinetics of long-term intranasal administration of bencycloquidium bromide: a 91-day study in dogs. Regul Toxicol Pharmacol. 2011 Mar;59(2):343-52. doi: 10.1016/j.yrtph.2010.11.006. Epub 2010 Dec 2. PubMed PMID: 21130130. 9: Jiang B, Ruan Z, Lou H, Dong X, Xie Q. Determination of bencycloquidium bromide in dog plasma by liquid chromatography with electrospray ionization tandem mass spectrometry. Biomed Chromatogr. 2010 May;24(5):490-6. doi: 10.1002/bmc.1316. PubMed PMID: 19688815. 10: Zhou W, Ding L, Xu G, Wang Y, Sun L, He J, Huang Y, Hu L, Chen X. Determination of bencycloquidium bromide in human urine using weak cation-exchange solid-phase extraction and LC-ESI-MS: Method validation and application to kinetic study of urinary excretion. J Pharm Biomed Anal. 2009 Aug 15;50(1):35-40. doi: 10.1016/j.jpba.2009.03.012. Epub 2009 Mar 24. PubMed PMID: 19395213. 11: Zhou W, Ding L, Wang Y, Sun L, Huang Y, Hu L, Chen X. Solid phase extraction and liquid chromatography-electrospray ionization-mass spectrometry for the determination of bencycloquidium bromide in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2009 Apr 1;877(10):897-901. doi: 10.1016/j.jchromb.2009.02.027. Epub 2009 Feb 14. PubMed PMID: 19251489. 12: Xu Q, Ding L, Liu WY, Li RS, Song QX, Chen XP. Determination of bencycloquidium bromide, a novel anticholinergic compound, in rat tissues by liquid chromatography-electrospray ionization mass spectrometry. Eur J Mass Spectrom (Chichester, Eng). 2008;14(5):319-27. doi: 10.1255/ejms.937. PubMed PMID: 19023149. 13: Xu Q, Ding L, Liu WY, Chen XP, Liu BM. Study of the metabolites of bencycloquidium bromide racemate, a novel anticholinergic compound, in rat bile by liquid chromatography-tandem mass spectrometry. Eur J Mass Spectrom (Chichester, Eng). 2008;14(2):99-105. doi: 10.1255/ejms.909. PubMed PMID: 18493099. 14: Xu Q, Ding L, Liu W, Bian X, Tang W. Determination of bencycloquidium bromide in rat plasma by liquid chromatography-electrospray ionization-mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Feb 1;846(1-2):209-14. Epub 2006 Oct 19. PubMed PMID: 17055347.