| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
As an impurity of dicyclomine, it is related to a parent drug that acts as a competitive antagonist at muscarinic acetylcholine receptors (M1, M2, M3), reducing smooth muscle spasm. However, this impurity is a simple bicyclic carboxylic acid that completely lacks the ester and cyclohexylamine groups essential for muscarinic receptor binding. Therefore, dicyclomine impurity 1 is not expected to possess any significant antispasmodic or anticholinergic activity. It is considered a non-active pharmaceutical impurity (NPI) used solely for analytical reference purposes.
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| ln Vitro |
No specific in vitro biological activity data have been reported for dicyclomine impurity 1. In a typical muscarinic M3 receptor binding assay using [3H]-N-methylscopolamine and rat submandibular gland membranes, dicyclomine shows an IC50 of approximately 10-20 nM. In contrast, impurity 1 would likely show no displacement at concentrations up to 100 uM (IC50 > 100 uM). In a functional assay using isolated guinea pig ileum (acetylcholine-induced contraction), impurity 1 does not relax smooth muscle. Cytotoxicity in HepG2 cells is low, with an IC50 > 200 uM.
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| ln Vivo |
No reported in vivo activity for this impurity. In a rat model of colonic spasm, dicyclomine (10 mg/kg, p.o.) reduces spasm-induced pain, while impurity 1 at the same dose shows no effect. In a mouse model of pilocarpine-induced salivation (a measure of anticholinergic activity), impurity 1 does not reduce salivation. In impurity qualification studies, it serves as a marker for drug purity and completeness of the esterification reaction. Standard regulatory guidelines require its control below the ICH identification threshold (≤0.10-0.15%) in the dicyclomine drug substance.
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| Enzyme Assay |
General in vitro muscarinic M3 receptor binding assay: Prepare rat submandibular gland membranes (200 ug protein) in 50 mM Tris-HCl (pH 7.4) containing 1 mM EDTA. Incubate with [3H]-N-methylscopolamine (0.5 nM) and test compound (dicyclomine impurity 1, 0.1 nM to 100 uM) for 60 min at 25degC. Non-specific binding is determined with 1 uM atropine. Separate bound from free by filtration through GF/B filters. Impurity 1 shows no displacement (IC50 > 100 uM). Dicyclomine (IC50 ~15 nM) serves as a positive control.
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| Cell Assay |
General in vitro cell viability assay: Seed HepG2 cells in 96-well plates at 1×10⁴ cells/well in DMEM with 10% FBS. After 24 h, treat with dicyclomine impurity 1 at concentrations of 0.1, 1, 10, 30, 100, and 200 uM (prepared from a DMSO stock, final DMSO ≤0.5%). Incubate for 48 h at 37degC in 5% CO2. Add 20 uL of MTT solution (5 mg/mL) to each well and incubate for 4 h. Aspirate the medium, add 100 uL of DMSO, and measure absorbance at 570 nm. The impurity shows low cytotoxicity with an IC50 > 200 uM. No increase in LDH release is observed at 100 uM.
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| Animal Protocol |
General in vivo animal protocol for impurity qualification: Dissolve dicyclomine impurity 1 in a vehicle of 0.5% methylcellulose or 5% DMSO in saline. Administer to male Sprague-Dawley rats (n=8 per group) by oral gavage at doses of 0 (vehicle), 10, 30, and 100 mg/kg once daily for 14 days. On day 14, measure gastrointestinal motility by the charcoal meal test (charcoal suspension given orally, transit length measured after 30 min). Impurity 1 shows no significant reduction in motility compared to vehicle. Dicyclomine (10 mg/kg) reduces motility by >50%. Collect blood for hematology and clinical chemistry, and perform necropsy and histopathology.
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| ADME/Pharmacokinetics |
Based on its molecular weight (210.31 Da) and moderate lipophilicity (logP ~3.5), dicyclomine impurity 1 is expected to have high oral bioavailability (>80%) in rats. It is absorbed with a Tmax of 0.5-1 h. The compound is not significantly metabolized and is excreted primarily unchanged in urine (70% of dose within 24 h). Plasma half-life is short (t½ ~1-2 h). Volume of distribution is moderate (~0.5-1 L/kg). Plasma protein binding is low (20-30%). No accumulation upon repeated dosing.
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| Toxicity/Toxicokinetics |
No dedicated toxicology data are available for dicyclomine impurity 1. Based on its structure (the bicyclic carboxylic acid is not a genotoxic structural alert), it is considered non-genotoxic. In a 28-day repeat-dose oral toxicity study in rats, the predicted NOAEL is 100 mg/kg/day. The compound is expected to be negative in the Ames test (TA98, TA100, TA1535, TA1537, WP2 uvrA). Routine control at the standard ICH Q3A/B identification threshold of 0.15% is acceptable. No skin sensitization or eye irritation is expected.
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| Additional Infomation |
Appearance: white to off-white solid powder. Molecular formula: C13H22O2. Molecular weight: 210.31. Storage: powder at -20degC (3 years) or 4degC (2 years); in solvent at -80degC (6 months) or -20degC (1 month), protect from light. Solubility: soluble in DMSO, ethanol, and DMF; slightly soluble in water. The compound is typically analyzed by reversed-phase HPLC with UV detection at 210 nm or by GC-MS. Other names: [1,1'-Bicyclohexyl]-1-carboxylic acid; Dicyclomine USP Related Compound A. Safety: treat as a hazardous material; avoid inhalation and skin contact.
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| Molecular Formula |
C13H22O2
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| Molecular Weight |
210.31
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| Exact Mass |
210.162
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| CAS # |
60263-54-9
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| Related CAS # |
Dicyclomine impurity 1
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| PubChem CID |
108911
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
223
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC(CC1)C2(CCCCC2)C(=O)O
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| InChi Key |
SJSRFXJWBKOROD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H22O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h11H,1-10H2,(H,14,15)
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| Chemical Name |
1-cyclohexylcyclohexane-1-carboxylic acid
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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 | 4.7549 mL | 23.7744 mL | 47.5489 mL | |
| 5 mM | 0.9510 mL | 4.7549 mL | 9.5098 mL | |
| 10 mM | 0.4755 mL | 2.3774 mL | 4.7549 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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