| Identification | Back Directory | [Name]
SVT-40776 | [CAS]
1159101-48-0 | [Synonyms]
CS-268
SVT-40776
SVT40776 D-tartrate
SVT 40776 D-tartrate
SVT-40776 D-tartrate
Tarafenacin (D-tartrate)
SVT-40776 D-TARTRATE;SVT40776 D-TARTRATE;SVT 40776 D-TARTRATE
N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]-Carbamic acid (3R)-1-azabicyclo[2.2.2]oct-3-yl ester (2S,3S)-2,3-dihydroxybutanedioate (1:1)
CarbaMic acid, N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)Methyl]-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (2S,3S)-2,3-dihydroxybutanedioate (1:1) | [EINECS(EC#)]
604-604-1 | [Molecular Formula]
C25H26F4N2O8 | [MOL File]
1159101-48-0.mol | [Molecular Weight]
558.476 |
| Hazard Information | Back Directory | [Uses]
Tarafenacin D-tartrate (SVT-40776 D-tartrate) is a highly selective M3 muscarinic receptor antagonist (Ki= 0.19 nM), ~200 fold selectivity over M2 receptor.
IC50 value: 0.19 nM (Ki) [1]
Target: M3 muscarinic receptor
in vitro: SVT-40776 is highly selective for M(3) over M(2) receptors (Ki = 0.19 nmol.L(-1) for M(3) receptor affinity). SVT-40776 was the most potent in inhibiting carbachol-induced bladder contractions of the anti-cholinergic agents tested, without affecting atrial contractions over the same range of concentrations. SVT-40776 exhibited the highest urinary versus cardiac selectivity (199-fold) [1]. SVT-40776 has a much higher binding affinity (K(d) = 0.4 nM) to M5 mAChR than that of solifenacin (K(d) = 31 nM) with the same reeptor. The calculated binding free energy change (-2.3 ± 0.3 kcal/mol) from solifenacin to SVT-40776 is in good agreement with the experimentally derived binding free energy change (-2.58 kcal/mol), suggesting that our modeled M5 mAChR structure and its complexes with the antagonists are reliable [2].
in vivo: In the guinea pig in vivo model, SVT-40776 inhibited 25% of spontaneous bladder contractions at a very low dose (6.97 microg.kg(-1) i.v), without affecting arterial blood pressure [1]. | [IC 50]
mAChR3 | [storage]
Store at -20°C | [References]
[1] Salcedo C, et al. In vivo and in vitro pharmacological characterization of SVT-40776, a novel M3 muscarinic receptor antagonist, for the treatment of overactive bladder. Br J Pharmacol. 2009 Mar;156(5):807-17. DOI:10.1111/j.1476-5381.2008.00082.x
[2] Huang X, et al. Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation. J Phys Chem B. 2012 Jan 12;116(1):532-41. DOI:10.1021/jp210579b |
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| Company Name: |
Musechem
|
| Tel: |
+1-800-259-7612 |
| Website: |
www.musechem.com |
| Company Name: |
Cckinase, Inc.
|
| Tel: |
+1 (732)236-3202 |
| Website: |
www.cckinase.com |
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