Nepicastat

Modify Date: 2025-08-21 22:57:21

Nepicastat Structure
Nepicastat structure
Common Name Nepicastat
CAS Number 173997-05-2 Molecular Weight 295.351
Density 1.4±0.1 g/cm3 Boiling Point 401.8±55.0 °C at 760 mmHg
Molecular Formula C14H15F2N3S Melting Point N/A
MSDS N/A Flash Point 196.8±31.5 °C

 Use of Nepicastat


Nepicastat (SYN117; RS-25560-197) is a dopamine beta-hydroxylase inhibitor with IC50 of 8.5 ± 0.8 and 9.0 ± 0.8 nM for bovine and human, respectively. IC50 value: 8.5/9.0 nM(bovine/human dopamine beta-hydroxylase)Dopamine beta-hydroxylase is an enzyme that catalyzes the conversion of dopamine to norepinephrine. Nepicastat (SYN117; RS-25560-197) has been studied as a possible treatment for congestive heart failure, and appears to be well tolerated as such.

 Names

Name 4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 401.8±55.0 °C at 760 mmHg
Molecular Formula C14H15F2N3S
Molecular Weight 295.351
Flash Point 196.8±31.5 °C
Exact Mass 295.095459
PSA 78.83000
LogP 2.31
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.665
InChIKey YZZVIKDAOTXDEB-JTQLQIEISA-N
SMILES NCc1c[nH]c(=S)n1C1CCc2c(F)cc(F)cc2C1
Storage condition 2-8℃

 Safety Information

HS Code 2934999090

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 NepicastatBioassay

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Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist
Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: Primary qHTS for Identification of Small Molecule Activators of Huntingtin-Antisense ...
Source: NCGC
External Id: huntington-HTTAS8-p1-FF-overN
Name: Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
Source: NCGC
Target: N/A
External Id: TRND-SARS-CoV-2-cytotox-48hr
Name: Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
Source: NCGC
External Id: TRND-SARS-CoV-2-PP
Name: Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th...
Source: NCGC
Target: N/A
External Id: s-my-keats_OPM1-m4-1
Name: Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th...
Source: NCGC
Target: N/A
External Id: s-my-OC1MY5-m4-1
Name: Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th...
Source: NCGC
Target: N/A
External Id: s-my-KMS_34-m4-1
Name: Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th...
Source: NCGC
Target: N/A
External Id: s-my-keats_L363-m4-1
Name: Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th...
Source: NCGC
Target: N/A
External Id: s-my-keats_OCIMY7-m4-1
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 Synonyms

(S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione
5-(Aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-2H-imidazole-2-thione
S1583_Selleck
5-(Aminomethyl)-1-((2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-2H-imidazole-2-thione
SYN-117
Nepitat
nepicastat
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