CAS Number133099-07-7
Synonyms2-{(3S)-1-[2-(2,3-Dihydro-1-benzofur-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamidhydrobromid; 2-{(3S)-1-[2-(2,3-dihydro-1-benzofur-5-yl)éthyl]pyrrolidin-3-yl}-2,2-diphénylacétamide bromhydrate; UNII-CR02EYQ8GV; Darifenacin hydrobromide; Darifenacin HBr; Emselex; Enablex; Darifenacin (hydrobromide)
Molecular FormulaC28H31BrN2O2
Molecular Weight507.46
Purity≥98 (HPLC)%
Boiling Point614.3ºC at 760 mmHg
Melting Point228-230ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 133099-07-7 |
| Catalog No. | 2A-9052265 |
| Chinese Name | 氢溴酸达非那新 |
| Synonyms | 2-{(3S)-1-[2-(2,3-Dihydro-1-benzofur-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamidhydrobromid; 2-{(3S)-1-[2-(2,3-dihydro-1-benzofur-5-yl)éthyl]pyrrolidin-3-yl}-2,2-diphénylacétamide bromhydrate; UNII-CR02EYQ8GV; Darifenacin hydrobromide; Darifenacin HBr; Emselex; Enablex; Darifenacin (hydrobromide) |
| Molecular Formula | C28H31BrN2O2 |
| Molecular Weight | 507.46 |
| Purity | ≥98 (HPLC) |
| Boiling Point | 614.3ºC at 760 mmHg |
| Melting Point | 228-230ºC |
| Appearance | powder |
| Storage Condition | -20°C Freezer |
| Application | Darifenacin HBr (UK88525) is a selective M3 muscarinic receptor antagonist with a pKi of 8.9. |
| PubChem ID | 329825477 |
| MDL Number | MFCD08141803 |
| SMILES | O=C(N)C([C@H]1CN(CCC2=CC=C(OCC3)C3=C2)CC1)(C4=CC=CC=C4)C5=CC=CC=C5.Br |
| InChI | 1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1 |
| InChI Key | UQAVIASOPREUIT-VQIWEWKSSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/52265_1_133099_07_7.pdf |
| Bioactivity | Darifenacin HBr(UK88525) is a selective M3 muscarinic receptor antagonist with pKi of 8.9.IC50 value: 8.9 (pKi) [1]Target: M3 receptorin vitro: Darifenacin exerts non-parallel rightward displacement of the agonist curve and also significant depression of the maximum response (+)-cis-Dioxolane produced concentration-dependent contraction of the isolated bladder of rat [1]. Darifenacin produces a concentration dependent increase in R123 (P-gp probe) accumulation in MDCK cells. Darifenacin stimulates ATPase activity in P-gp membrane in a clear concentration dependent response manner with an estimated ED50 value of 1.6?μM. Darifenacin (100 nM) shows a significantly greater permeability for darifenacin in the basolateral to apical direction resulting in an efflux ratio in BBMEC monolayers of approximately 2.6 [2].in vivo: Darifenacin produces dose-dependent inhibition of amplitude of volume-induced bladder contractions(VIBCAMP), producing 35% inhibition at dose of 283.3 nmol/kg and maximal inhibition of approximately 50-55% [1]. Darifenacin (0.1 mg/kg i.v.) reduces bladder afferent activity in both Aδ and C fibers in female Sprague-Dawley rats, the decrease in afferent spikes in C fibers may be more pronounced than that in Aδ fibers [3]. Related Catalog Signaling Pathways >> GPCR/G Protein >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research Areas >> Neurological Disease References [1]. Hegde SS, et al. Functional role of M2 and M3 muscarinic receptors in the urinary bladder of rats in vitro and in vivo. Br J Pharmacol, 1997, 120(8), 1409-1418. [2]. Miller DW, et al. Evaluation of drug efflux transporter liabilities of darifenacin in cell culture models of the blood-brain and blood-ocular barriers. Neurourol Urodyn, 2011, 30(8), 1633-1638. [3]. Iijima K, et al. Effects of the M3 receptor selective muscarinic antagonist darifenacin on bladder afferent activity of the rat pelvic nerve. Eur Urol, 2007, 52(3), 842-847. Chemical & Physical Properties Boiling Point 614.3ºC at 760 mmHg Melting Point 228-230ºC Molecular Formula C28H31BrN2O2 Molecular Weight 507.46 Flash Point 325.3ºC PSA 41.57000 LogP 5.94630 Vapour Pressure 1.11E-16mmHg at 25°C InChIKey UQAVIASOPREUIT-VQIWEWKSSA-N SMILES Br.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1 Storage condition -20°C Freezer |
| Use of | Properties Name darifenacin hydrobromide Synonym More Synonyms Darifenacin HBr Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> mAChR Signaling Pathways >> Neuronal Signaling >> mAChR Research Areas >> Neurological Disease References [2]. Miller DW, et al. Evaluation of drug efflux transporter liabilities of darifenacin in cell culture models of the blood-brain and blood-ocular barriers. Neurourol Urodyn, 2011, 30(8), 1633-1638. [3]. Iijima K, et al. Effects of the M3 receptor selective muscarinic antagonist darifenacin on bladder afferent activity of the rat pelvic nerve. Eur Urol, 2007, 52(3), 842-847. Chemical & Physical Properties Molecular Formula C28H31BrN2O2 PSA 41.57000 LogP 5.94630 InChIKey UQAVIASOPREUIT-VQIWEWKSSA-N |
| Transport Info | Product name: Darifenacin HBr |
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