CAS 139404-48-1|Tiotropium bromide hydrate

Introduction：Basic information about CAS 139404-48-1|Tiotropium bromide hydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Tiotropium bromide hydrate BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Customs
6. Synonyms

Common Name	Tiotropium bromide hydrate
CAS Number	139404-48-1	Molecular Weight	490.432
Density	/	Boiling Point	/
Molecular Formula	C₁₉H₂₄BrNO₅S₂	Melting Point	218-220ºC
MSDS	/	Flash Point	/

Names

Name	Tiotropium Bromide
Synonym	More Synonyms

Tiotropium bromide hydrate BiologicalActivity

Description	Tiotropium Bromide hydrate is an anticholinergic and bronchodilator and a muscarinic receptor antagonist.Target: mAChRTiotropium bromide (Ba 679 BR) is a novel potent and long-lasting muscarinic antagonist that has been developed for the treatment of chronic obstructive airways disease (COPD). Binding studies with [3H]tiotropium bromide in human lung have confirmed that this is a potent muscarinic antagonist with equal affinity for M1-, M2- and M3-receptors and is approximately 10-fold more potent than ipratropium bromide. In vitro tiotropium bromide has a potent inhibitory effect against cholinergic nerve-induced contraction of guinea-pig and human airways, that has a slower onset than atropine or ipratropium bromide. tiotropium bromide dissociates slowly from M3-receptors (on airway smooth muscle) but rapidly from M2 autoreceptors (on cholinergic nerve terminals) [1]. Tiotropium bromide is a quaternary ammonium derivative that binds to muscarinic receptors. However, although tiotropium binds with high affinity to muscarinic receptors of M1-, M2- and M3-subtypes, it dissociates very slowly from M1- and M3-receptors but more rapidly from M2-receptors, thereby giving it a unique kinetic selectivity [2].
Related Catalog	Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease
References	[1]. Barnes, P.J., et al., Tiotropium bromide (Ba 679 BR), a novel long-acting muscarinic antagonist for the treatment of obstructive airways disease. Life Sci, 1995. 56(11-12): p. 853-9. [2]. Hansel, T.T. and P.J. Barnes, Tiotropium bromide: a novel once-daily anticholinergic bronchodilator for the treatment of COPD. Drugs Today (Barc), 2002. 38(9): p. 585-600.

Description

Tiotropium Bromide hydrate is an anticholinergic and bronchodilator and a muscarinic receptor antagonist.Target: mAChRTiotropium bromide (Ba 679 BR) is a novel potent and long-lasting muscarinic antagonist that has been developed for the treatment of chronic obstructive airways disease (COPD). Binding studies with [3H]tiotropium bromide in human lung have confirmed that this is a potent muscarinic antagonist with equal affinity for M1-, M2- and M3-receptors and is approximately 10-fold more potent than ipratropium bromide. In vitro tiotropium bromide has a potent inhibitory effect against cholinergic nerve-induced contraction of guinea-pig and human airways, that has a slower onset than atropine or ipratropium bromide. tiotropium bromide dissociates slowly from M3-receptors (on airway smooth muscle) but rapidly from M2 autoreceptors (on cholinergic nerve terminals) [1]. Tiotropium bromide is a quaternary ammonium derivative that binds to muscarinic receptors. However, although tiotropium binds with high affinity to muscarinic receptors of M1-, M2- and M3-subtypes, it dissociates very slowly from M1- and M3-receptors but more rapidly from M2-receptors, thereby giving it a unique kinetic selectivity [2].

Related Catalog

Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease

References

[1]. Barnes, P.J., et al., Tiotropium bromide (Ba 679 BR), a novel long-acting muscarinic antagonist for the treatment of obstructive airways disease. Life Sci, 1995. 56(11-12): p. 853-9.

[2]. Hansel, T.T. and P.J. Barnes, Tiotropium bromide: a novel once-daily anticholinergic bronchodilator for the treatment of COPD. Drugs Today (Barc), 2002. 38(9): p. 585-600.

Chemical & Physical Properties

Melting Point	218-220ºC
Molecular Formula	C₁₉H₂₄BrNO₅S₂
Molecular Weight	490.432
Exact Mass	489.027924
PSA	124.77000
InChIKey	MQLXPRBEAHBZTK-KFEMZTBUSA-M
SMILES	C[N+]1(C)C2CC(OC(=O)C(O)(c3cccs3)c3cccs3)CC1C1OC12.O.[Br-]
Storage condition	-20℃

Safety Information

RIDADR	NONH for all modes of transport
HS Code	2934999090

Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

3-Oxa-9-azoniatricyclo[3.3.1.0]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, (1R,2R,4S,5S)-, hydrate (1:1:1)

3-oxa-9-azoniatricyclo[3.3.1.0]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, (1R,2R,4S,5S)-, monohydrate

(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0]nonane bromide hydrate

MFCD00867027

Tiotropium bromide hydrate

(1R,2R,4S,5S,7S)-7-{[Hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0]nonanbromidhydrat

Tiotropium bromide monohydrate

bromure de (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophén-2-yl)acétyl]oxy}-9,9-diméthyl-3-oxa-9-azoniatricyclo[3.3.1.0]nonane hydrate

(1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0]nonane bromide hydrate (1:1:1)

Tiotropium bromide xhydrate

Tiotropium (bromide hydrate)

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