≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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)Target: M3 muscarinic receptorin 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). 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.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.
Form:Solid
IC50& Target:mAChR3
| Canonical Smiles | C1CN2CCC1C(C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate;(2S,3S)-2,3-dihydroxybutanedioic acid |
| InChIKey | YJBKAMMKXVRSAI-CUCKRJOPSA-N |
| INCHI | 1S/C21H20F4N2O2.C4H6O6/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26;5-1(3(7)8)2(6)4(9)10/h1-3,8-10,14,19H,4-7,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-;1-,2-/m00/s1 |
| Isomeric SMILES | C1CN2CCC1[C@H](C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O |
| Alternate CAS | 1159101-48-0 |
| PubChem CID | 42622929 |
| MeSH Entry Terms | SVT-40776 |
| Molecular Weight | 558.48 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Quinuclidines Beta hydroxy acids and derivatives Sugar acids and derivatives Short-chain hydroxy acids and derivatives Fluorobenzenes Alpha hydroxy acids and derivatives Aryl fluorides Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Piperidines Carbamate esters 1,2-diols Secondary alcohols Trialkylamines Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Not available |
| Substituents | Phenylcarbamic acid ester - Quinuclidine - Halobenzene - Fluorobenzene - Short-chain hydroxy acid - Beta-hydroxy acid - Sugar acid - Monosaccharide - Hydroxy acid - Alpha-hydroxy acid - Piperidine - Aryl fluoride - Dicarboxylic acid or derivatives - Fatty acid - Aryl halide - Carbamic acid ester - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - 1,2-diol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. |
| External Descriptors | Not available |
| Solubility | DMSO : ≥ 100 mg/mL (179.06 mM) |
|---|---|
| Molecular Weight | 558.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 558.163 Da |
| Monoisotopic Mass | 558.163 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 697.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
