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Nepicastat hydrochloride

CAT: 0013-GTR19169770-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169770-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nepicastat hydrochloride is a potent and selective dopamine-β-hydroxylase inhibitor, effective against both bovine and human enzymes. It is a valuable research tool for studying catecholamine regulation in cardiovascular and neuropsychiatric research, with utility in both in vitro and in vivo experimental models.
CAS Number
170151-24-3
Product Name Alternative
Dopamine β-hydroxylase, Dopamine β-monooxygenase, Dopamine beta-hydroxylase, Dopamine beta-monooxygenase, Inhibitor, Nepicastat, Nepicastat (SYN-117) HCl, Nepicastat HCl, Nepicastat hydrochloride, Nepicastat Hydrochloride, inhibit, SYN 117, SYN 117 Hydrochloride, SYN117, SYN-117, SYN117 Hydrochloride, SYN-117 hydrochloride, SYN-117 Hydrochloride, RS-25560-197 Hydrochloride, RS-25560-197 hydrochloride
Field of Research
Metabolism Research
Purity
98.35% (May vary between batches)
Solubility
DMSO:50 mg/mL (150.69 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (3.01 mM)
Smiles
Cl.NCc1c[nH]c (=S) n1[C@H]1CCc2c (F) cc (F) cc2C1
Molecular Formula
C14H15F2N3S·HCl
Molecular Weight
331.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

nepicastat hydrochloride anhydrous
CAS Number170151-24-3
PubChem CID9840545
IUPAC Name4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione;hydrochloride
Molecular FormulaC14H16ClF2N3S
Molecular Weight331.8
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity429
SMILES
C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F.Cl
InChI
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
InChIKey
DIPDUAJWNBEVOY-PPHPATTJSA-N
Chemical Structure
2D Structure
2D structure of nepicastat hydrochloride anhydrous
CAS: 170151-24-3
CID: 9840545
Formula: C14H16ClF2N3S
MW: 331.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass331.0721527
Monoisotopic Mass331.0721527
Topological Polar Surface Area73.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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