Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H15F2N3S.ClH.H2O |
| Molecular Weight | 349.827 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.NCC1=CNC(=S)N1[C@H]2CCC3=C(C2)C=C(F)C=C3F
InChI
InChIKey=AILBEJJAAWNNIR-XRIOVQLTSA-N
InChI=1S/C14H15F2N3S.ClH.H2O/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;1H2/t10-;;/m0../s1
DescriptionCurator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/25602710
https://www.ncbi.nlm.nih.gov/pubmed/24983834
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/25602710
https://www.ncbi.nlm.nih.gov/pubmed/24983834
Nepicastat (SYN-117) is a potent and selective inhibitor of dopamine-β-hydroxylase. This compound in Phase 2 of clinical trial for the treatment cocaine addiction and posttraumatic stress disorder.
Originator
Approval Year
Doses
| Dose | Population | Adverse events |
|---|---|---|
160 mg 1 times / day multiple, oral Dose: 160 mg, 1 times / day Route: oral Route: multiple Dose: 160 mg, 1 times / day Co-administed with:: сocaine Sources: Page: p.8 |
unhealthy, ADULT n = 13 Health Status: unhealthy Condition: cocaine abuse Age Group: ADULT Sex: M+F Food Status: UNKNOWN Population Size: 13 Sources: Page: p.8 |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Catecholamine modulatory effects of nepicastat (RS-25560-197), a novel, potent and selective inhibitor of dopamine-beta-hydroxylase. | 1997 Aug |
|
| Synthesis and biological evaluation of novel, peripherally selective chromanyl imidazolethione-based inhibitors of dopamine beta-hydroxylase. | 2006 Feb 9 |
|
| Effects of disulfiram and dopamine beta-hydroxylase knockout on cocaine-induced seizures. | 2008 Jun |
|
| Disulfiram attenuates drug-primed reinstatement of cocaine seeking via inhibition of dopamine β-hydroxylase. | 2010 Nov |
Sample Use Guides
In Vivo Use Guide
Curator's Comment: https://clinicaltrials.gov/ct2/show/NCT01704196?term=NEPICASTAT&rank=3
Post Traumatic Stress Disorder: 120 mg/day
Cocaine Dependence: Nepicastat 120 mg and 100 mg riboflavin (once per day) for 11 weeks
Route of Administration:
Oral
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NCI_THESAURUS |
C471
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C109487
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11954368
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CHEMBL1188395
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DTXSID30938968
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177645-08-8
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VJ9868NW5X
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C84004
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139334
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II-85
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ACTIVE MOIETY
SUBSTANCE RECORD
