Bromhexine hydrochloride

Name: Bromhexine hydrochloride
SKU: APS611756
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For Research Use Only | Not For Clinical Use

Catalog NumberAPS611756

CAS Number611-75-6

CategoryAnalytical Standards; Chromatography Standards

Specification

MDL Number	MFCD00056626
Synonyms	N-Cyclohexyl-N-methyl-N-(2-amino-3,5-dibromobenzyl)ammonium chloride, Bisolvon hydrochloride, Benzenemethanamine, 2-amino-3,5-dibromo-N-cyclohexyl-N-methyl-, monohydrochloride (9CI), Cyclohexylmethyl(2-amino-3,5-dibromobenzyl)ammonium chloride, Auxit, Quentan, Nalpha-Cyclohexyl-Nalpha-methyl-3,5-dibromotoluene-alpha,2-diamine hydrochloride, Bromhexine hydrochloride, Bromhexine monohydrochloride, N-Cyclohexyl-N-methyl-(2-amino-3,5-dibromobenzyl)ammonium chloride, Toluene-alpha,2-diamine, 3,5-dibromo-Nalpha-cyclohexyl-Nalpha-methyl-, monohydrochloride (8CI), 2-Amino-3,5-dibromo-N-cyclohexyl-N-methylbenzylamine monohydrochloride, Bisolvon,Benzenemethanamine, 2-amino-3,5-dibromo-N-cyclohexyl-N-methyl-, hydrochloride (1:1), Bromhexine chloride, Ophtosol
IUPAC Name	2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline;hydrochloride
Molecular Weight	412.59
Molecular Formula	C14H20Br2N2.ClH
EC Number	210-280-8
Canonical SMILES	Cl.CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2
InChI	InChI=1S/C14H20Br2N2.ClH/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17;/h7-8,12H,2-6,9,17H2,1H3;1H
InChI Key	UCDKONUHZNTQPY-UHFFFAOYSA-N
REAXYS Number	4848376

Properties

Accurate Mass	409.976
Format	Neat
Type	API

Documents

Bromhexine Hydrochloride Used for the Inhibition of SARS-CoV-2 Spike Protein Binding via hACE-2 Interaction Modulation

Kehinde, Idowu A., et al. Journal of Molecular Graphics and Modelling 114 (2022): 108201.

Bromhexine hydrochloride (BHH), traditionally known as a mucolytic agent, has demonstrated promising potential in antiviral research through its interaction with human angiotensin-converting enzyme 2 (hACE-2), the primary receptor for SARS-CoV-2 cellular entry. In this computational study, BHH was investigated for its ability to disrupt the high-affinity binding between the SARS-CoV-2 spike protein and hACE-2, a critical step in viral attachment and host cell infection.
Molecular docking revealed that while BHH binding at the receptor-binding domain (RBD) interface had negligible impact on protein-protein interaction, its binding at the exopeptidase site of hACE-2 significantly reduced binding affinity between hACE-2 and the spike protein complex-from -64.856 kcal/mol (unbound) to -46.354 kcal/mol. This disruption was corroborated by residue interaction network analysis, which showed a marked reduction in amino acid contacts, indicating weakened spike-receptor binding
Furthermore, structural dynamics analysis confirmed that BHH induces notable conformational changes in the ACE2-spike complex, further supporting its potential inhibitory mechanism. Compared to ambroxol hydrochloride (AMB), BHH showed superior efficacy in attenuating spike-hACE-2 interactions.
These findings suggest that Bromhexine hydrochloride may serve as a potent inhibitor of SARS-CoV-2 entry by targeting the exopeptidase site of hACE-2, offering a promising repurposing strategy in antiviral therapeutics aimed at curbing viral infectivity.

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CAT	Size	Shipping	Storage Conditions	Description	Price
APS611756-200MG	200MG	Room Temperature	2-8°C Fridge/Coldroom	API Family: Matrix - API Family See respective official monograph(s); Subcategory: European Pharmacopoeia (Ph. Eur.)	Inquiry
APS611756-250MG	250MG	Room Temperature	+5°C	API Family: Matrix - API Family Bromhexine Hydrochloride; Subcategory: Respiratory drugs, Mikromol, API standards	Inquiry
APS611756-50MG	50MG	Room Temperature	2-8°C Fridge/Coldroom	Subcategory: Respiratory drugs	Inquiry