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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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Purity: ≥98%
Nepicastat HCl (SYN-117; SYN 117; RS-25560-197; RS 25560-197), the hydrochloride salt of Nepicastat, is a potent and selective inhibitor of dopamine-β-hydroxylase (an enzyme that catalyzes the conversion of dopamine to norepinephrine) with the potential to treat CHF-congestive heart failure. It inhibits dopamine-β-hydroxylase with an IC50 of 8.5 nM and 9 nM, with little affinity for twelve other enzymes and thirteen neurotransmitter receptors. Nepicastat has been studied as a possible treatment for congestive heart failure, and appears to be well tolerated.
| ln Vitro |
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| ln Vivo |
In the artery (mesenteric or renal), left ventricle, nepicastat hydrochloride (SYN-117 hydrochloride) (3-100 mg/kg; po; three consecutive times, 12 hours apart times) causes dose-dependent decreases in noradrenaline content, increases in dopamine content, and increases in dopamine/noradrenaline ratio[3].
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| Animal Protocol |
Animal/Disease Models: 15-16 weeks male spontaneously hypertensive rats (SHRs)[3]
Doses: 3, 10, 30, 100 mg/kg Route of Administration: Oral administration; three consecutive times, 12 hrs (hours) apart Experimental Results: Produced dose-dependent decreases in noradrenaline content, increases in dopamine content and increases in dopamine/noradrenaline ratio in the artery (mesenteric or renal), left ventricular and cerebral cortex. |
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| References |
[1]. Beliaev A, et al. Synthesis and biological evaluation of novel, peripherally selective chromanyl imidazolethione-based inhibitors of dopamine beta-hydroxylase.J Med Chem. 2006 Feb 9;49(3):1191-7.
[2]. Stanley WC, et al. Cardiovascular effects of nepicastat (RS-25560-197), a novel dopamine beta-hydroxylase inhibitor. J Cardiovasc Pharmacol. 1998 Jun;31(6):963-70. [3]. Stanley WC, et al. Catecholamine modulatory effects of nepicastat (RS-25560-197), a novel, potent and selective inhibitor of dopamine-beta-hydroxylase. Br J Pharmacol. 1997 Aug;121(8):1803-9. [4]. Sabbah HN, et al. Effects of dopamine beta-hydroxylase inhibition with nepicastat on the progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure. |
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| Additional Infomation |
See also: Nepicastat Hydrochloride (annotation moved to).
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| Molecular Formula |
C14H15F2N3S.HCL
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| Molecular Weight |
331.81
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| Exact Mass |
331.072
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| CAS # |
170151-24-3
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| Related CAS # |
Nepicastat;173997-05-2
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| PubChem CID |
9840545
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
4.514
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
429
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| Defined Atom Stereocenter Count |
1
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| SMILES |
Cl[H].S=C1N([H])C([H])=C(C([H])([H])N([H])[H])N1[C@]1([H])C([H])([H])C2C([H])=C(C([H])=C(C=2C([H])([H])C1([H])[H])F)F
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| InChi Key |
DIPDUAJWNBEVOY-PPHPATTJSA-N
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| InChi Code |
InChI=1S/C14H15F2N3S.ClH/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20;/h3,5,7,10H,1-2,4,6,17H2,(H,18,20);1H/t10-;/m0./s1
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| Chemical Name |
4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione;hydrochloride
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| Synonyms |
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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. |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.6 mg/mL (1.81 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 6.0 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: ≥ 0.6 mg/mL (1.81 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 6.0 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: ≥ 0.6 mg/mL (1.81 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 | 3.0138 mL | 15.0689 mL | 30.1377 mL | |
| 5 mM | 0.6028 mL | 3.0138 mL | 6.0275 mL | |
| 10 mM | 0.3014 mL | 1.5069 mL | 3.0138 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00659230 | Completed Has Results | Drug: Nepicastat Drug: Placebo |
Posttraumatic Stress Disorder | Tuscaloosa Research & Education Advancement Corporation |
July 1, 2009 | Phase 2 |
| NCT00641511 | Withdrawn | Drug: SYN117 (nepicastat) Drug: Placebo comparator |
Post Traumatic Stress Disorder (PTSD) | Michael E. DeBakey VA Medical Center | June 2008 | Phase 2 |
| NCT01704196 | Completed Has Results | Drug: Nepicastat Drug: Placebo |
Cocaine Dependence | National Institute on Drug Abuse (NIDA) | April 2013 | Phase 2 |
| NCT00656357 | Completed | Drug: SYN117 Placebo Drug: SYN117 80 mg |
Cocaine Dependence | Biotie Therapies Inc. | June 2008 | Phase 1 Phase 2 |
 Effects of nepicastat on tissue noradrenaline (NA) and dopamine (DA) content in the mesenteric artery (a), left ventricle (b) and cerebral cortex (c) of SHRs.Br J Pharmacol.1997 Aug;121(8):1803-9. |
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 Effects of nepicastat on tissue dopamine/noradrenaline ratio in the mesenteric artery, left ventricle and cerebral cortex of SHRs. |
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