| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
HEK-293 cells transfected with the h5-HT4(c) receptor exhibit a concentration-dependent rise in cAMP in response to velusetrag (10 pM-100 μM), with a pEC50 of 8.3 [1]. The guinea pig colonic longitudinal muscle/myenteric plexus (LMMP) contracts in response to velusetrag (100 pM-1 μM) in a concentration-dependent manner, with a pEC50 of 7.9 [1]. With a pEC50 of 7.9, TD-5108 (0.001-10 μM) causes concentration-dependent relaxation of the precontracted rat esophagus in response to carbachol (3 μM) [1].
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|---|---|
| ln Vivo |
In PD mice, a single intraperitoneal injection of velusetrag (3 mg/kg) greatly enhances the facilitation of contextual fear extinction [3]. Mice treated with 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) exhibit an increase in cAMP levels in the hippocampus when administered with velusetrag (3 mg/kg) intraperitoneally [3]. In guinea pigs, velusetrag (0.003-3 mg/kg; single subcutaneous injection) shortens the time needed for dye excretion and accelerates intestinal transit in a dose-dependent manner [2]. In line with esophageal relaxation in rats, velusetrag (0.003–1 mg/kg; single intravenous administration) dose-dependently increases intercrystalline distance [2].
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| Animal Protocol |
Animal/Disease Models: Male C57BL/6 mice (7-8 weeks old) were injected with MPTP[3].
Doses: 3 mg/kg. Route of Administration: single ip. Experimental Results: Improved facilitation of contextual fear extinction. There was no improvement in impaired rotarod performance in PD mice. |
| References |
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| Molecular Formula |
C25H37CLN4O5S
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|---|---|
| Molecular Weight |
541.104
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| Exact Mass |
540.217
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| CAS # |
866933-51-9
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| Related CAS # |
Velusetrag;866933-46-2
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| PubChem CID |
11842632
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
36
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| Complexity |
932
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| Defined Atom Stereocenter Count |
3
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| SMILES |
Cl.S(C)(N(C)C[C@@H](CN1[C@H]2CC(C[C@@H]1CC2)NC(C1=CC2C=CC=CC=2N(C(C)C)C1=O)=O)O)(=O)=O
|
| InChi Key |
BLIKSWRONBYRDD-BCDHGJHMSA-N
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| InChi Code |
InChI=1S/C25H36N4O5S.ClH/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34;/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31);1H/t18?,19-,20+,21-;/m0./s1
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| Chemical Name |
N-[(1S,5R)-8-[(2R)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide;hydrochloride
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| Synonyms |
TD 5108; TD-5108; Velusetrag 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
DMSO : ~220 mg/mL (~406.58 mM)
H2O : ~10 mg/mL (~18.48 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.5 mg/mL (10.16 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5.5 mg/mL (10.16 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 5.5 mg/mL (10.16 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8481 mL | 9.2404 mL | 18.4809 mL | |
| 5 mM | 0.3696 mL | 1.8481 mL | 3.6962 mL | |
| 10 mM | 0.1848 mL | 0.9240 mL | 1.8481 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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