| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg |
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| Other Sizes |
| Targets |
Ki: M1 (2.3 nM), M2 (2 nM), M3 (2.5 nM), M4 (2.8 nM), and M5 (2.9 nM)[1]
Muscarinic acetylcholine receptors (mAChRs), specifically M1, M2, M3, M4, and M5 subtypes. (Rac)-5-Hydroxymethyl Tolterodine hydrochloride acts as a non-selective, competitive antagonist at all five mAChR subtypes. |
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| ln Vitro |
The contraction of guinea pig isolated urinary bladder strips (KB of 0.84 nM; pA2 of 9.14) is competitively and concentration-dependently inhibited in vitro by (Rac)-5-Hydroxymethyl Tolterodine (PNU-200577) hydrochloride[2].
(Rac)-5-Hydroxymethyl Tolterodine hydrochloride is a potent, non-selective mAChR antagonist with high affinity for all five receptor subtypes. The Ki values are 2.3 nM for M1, 2 nM for M2, 2.5 nM for M3, 2.8 nM for M4, and 2.9 nM for M5 receptors. In functional assays, the compound acts as a competitive antagonist, inhibiting carbachol-induced contractions of isolated guinea pig bladder strips in a concentration-dependent manner with a KB of 0.84 nM and a pA2 of 9.14. |
| ln Vivo |
After being treated with HCl, (Rac)-5-Hydroxymethyl Tolterodine (5-HMT; 0.88 μmol/kg) exhibits binding activity.All tissues, with the exception of the cerebral cortex, exhibit considerable binding of 5-hydroxymethyl tolterodine hydrochloride to muscarinic receptors; the duration of this binding is longer in the bladder[3].
In vivo, (Rac)-5-Hydroxymethyl Tolterodine hydrochloride (5-HMT; 0.88 μmol/kg; intravenous administration) binds significantly to muscarinic receptors in all organs except the cerebral cortex. The longest duration of binding is observed in the bladder, which is consistent with the therapeutic use of tolterodine for overactive bladder. |
| Enzyme Assay |
In vitro receptor binding assays are performed to determine the affinity of (Rac)-5-Hydroxymethyl Tolterodine hydrochloride for the five mAChR subtypes. Radioligand binding techniques with membrane preparations from cells or tissues expressing the target receptors are used. The compound's ability to displace a specific radiolabeled ligand from each receptor subtype is measured to calculate its Ki values. Functional antagonism is confirmed by assessing the compound's ability to inhibit agonist-induced responses, such as carbachol-stimulated contractions in isolated tissue preparations.
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| Cell Assay |
In vitro cell-based assays are conducted using cells expressing recombinant mAChR subtypes. The cells are treated with a receptor agonist (e.g., carbachol) in the presence or absence of varying concentrations of (Rac)-5-Hydroxymethyl Tolterodine hydrochloride. The inhibition of agonist-induced intracellular signaling, such as calcium mobilization or PI hydrolysis, is measured to quantify the antagonistic activity.
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| Animal Protocol |
In vivo studies are typically conducted in animal models to evaluate the pharmacological effects of (Rac)-5-Hydroxymethyl Tolterodine hydrochloride. The compound is administered via intravenous injection (e.g., 0.88 μmol/kg) to assess its tissue distribution and receptor binding. Its effects on bladder function are evaluated in models of overactive bladder by measuring bladder pressure, contraction frequency, and urine output.
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| ADME/Pharmacokinetics |
(Rac)-5-Hydroxymethyl Tolterodine hydrochloride is the primary active metabolite of tolterodine and is responsible for the pharmacological activity of the parent drug. Following tolterodine administration, the metabolite is formed rapidly and contributes significantly to the overall antimuscarinic effect. The compound has a LogP of 4.12. Its tissue distribution is characterized by significant binding to muscarinic receptors in peripheral organs, particularly the bladder, with minimal penetration into the cerebral cortex.
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| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available for (Rac)-5-Hydroxymethyl Tolterodine hydrochloride as a standalone compound. However, as the primary active metabolite of tolterodine, its toxicity profile is expected to be similar to that of the parent drug. Tolterodine is generally well-tolerated, with common side effects including dry mouth, constipation, and blurred vision.
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| References |
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| Additional Infomation |
(Rac)-5-Hydroxymethyl Tolterodine hydrochloride is the hydrochloride salt form of the primary bioactive metabolite of tolterodine, a clinically approved drug for the treatment of overactive bladder. It is also known as (Rac)-Desfesoterodine hydrochloride and (Rac)-PNU-200577 hydrochloride. The compound is not intended for human therapeutic use as a standalone compound and is strictly for research purposes.
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| Molecular Formula |
C22H32CLNO2
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|---|---|
| Molecular Weight |
377.948
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| Exact Mass |
377.212
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| CAS # |
250214-40-5
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| PubChem CID |
78358029
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
26
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| Complexity |
357
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C(O)=C(C(C2C=CC=CC=2)CCN(C(C)C)C(C)C)C=C(CO)C=1.Cl
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| InChi Key |
YCJSMQLBWOHICX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H31NO2.ClH/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;1H
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| Chemical Name |
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;hydrochloride
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.6459 mL | 13.2293 mL | 26.4585 mL | |
| 5 mM | 0.5292 mL | 2.6459 mL | 5.2917 mL | |
| 10 mM | 0.2646 mL | 1.3229 mL | 2.6459 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.
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