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Purity: ≥98%
Tiotropium Bromide hydrate (PUR-0200; BA-679BR; BA679BR; PUR0200; Spiriva), the monohydrate form of tiotropium bromide, is an anticholinergic and bronchodilator and a muscarinic receptor antagonist used as a long-acting bronchodilator for the management of chronic obstructive pulmonary disease (COPD).
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| Animal Protocol |
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| Toxicity/Toxicokinetics |
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation Although no published data exist on the use of tiotropium, its use produces negligible maternal serum levels and any drug in breastmilk would not be absorbed by the infant. The risk to the breastfed infant of maternal tiotropium inhalation is small. International guidelines agree that breastfeeding can continue during tiotropium therapy. ◉ Effects in Breastfed Infants Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk Relevant published information was not found as of the revision date. |
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| References |
Respir Med.2007 Nov;101(11):2386-94;Clin Exp Allergy.2010 Aug;40(8):1266-75.
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| Additional Infomation |
Tiotropium bromide hydrate is a hydrate that is the monohydrate form of tiotropium bromide. Used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has a role as a muscarinic antagonist and a bronchodilator agent.
A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE. See also: Tiotropium Bromide Monohydrate (annotation moved to). |
| Molecular Formula |
C19H22NO4S2.BR.XH2O
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|---|---|
| Molecular Weight |
490.43
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| Exact Mass |
489.027
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| CAS # |
139404-48-1
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| Related CAS # |
136310-93-5 [Tiotropium Bromide (BA679 BR)]
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| PubChem CID |
11431811
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| Appearance |
Typically exists as solid at room temperature
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| Melting Point |
218-220ºC
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
564
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| Defined Atom Stereocenter Count |
4
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| SMILES |
[H][C@@]12[C@@H](O3)[C@@H]3[C@@](C[C@H](OC(C(C4=CC=CS4)(O)C5=CC=CS5)=O)C2)([H])[N+]1(C)C.O.[Br-]
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| InChi Key |
DQHNAVOVODVIMG-RGECMCKFSA-M
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| InChi Code |
InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
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| Chemical Name |
(1R,2R,4S,5S,7s)-7-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide
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| Synonyms |
BA 679BR; PUR-0200; BA 679BR; BA-679BR; BA679BR; PUR0200; PUR 0200; Tiotropium bromide, trade name: Spiriva.
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0390 mL | 10.1951 mL | 20.3903 mL | |
| 5 mM | 0.4078 mL | 2.0390 mL | 4.0781 mL | |
| 10 mM | 0.2039 mL | 1.0195 mL | 2.0390 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00870896 | Completed Has Results | Drug: Tiotropium | Chronic Obstructive Pulmonary Disease Chronic Bronchitis |
ThomasTruncale | February 2008 | Early Phase 1 |
| NCT04990167 | Recruiting | Drug: Tiotropium Bromide | Asthma in Children | Nemours Children's Clinic | January 1, 2022 | Phase 2 |
| NCT02172352 | Completed | Drug: Ba 679 BR low dose Drug: Ba 679 BR middle dose Drug: Ba 679 BR high dose Drug: Placebo inhalation powder |
Pulmonary Disease, Chronic Obstructive | Boehringer Ingelheim | July 1998 | Phase 2 |
| NCT05246046 | Completed | Drug: Tiotropium Bromide Monohydrate | Healthy Volunteers | Orion Corporation, Orion Pharma | February 16, 2022 | Phase 1 |
| NCT02172807 | Completed | Drug: Tiotropium low Drug: Tiotropium high Drug: Placebo MDI |
Pulmonary Disease, Chronic Obstructive | Boehringer Ingelheim | December 2000 | Phase 3 |
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