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Chemical structure of Etamicastat hydrochloride

GC60155

Etamicastat hydrochloride

Also known as 4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione;hydrochloride

Etamicastat hydrochloride (BIA 5-453 hydrochloride) is a potent and reversible dopamine-β-hydroxylase (DBH) inhibitor with an IC50 value of 107 nM

ChemicalCAS677773-32-9MW347.81FormulaC14H16ClF2N3OS
CAS number
677773-32-9
Molecular weight
347.81
Formula
C14H16ClF2N3OS
Solubility
DMSO： 100 mg/mL (287·51 mM)
InChIKey
CKRDOSZCFINPAD-RFVHGSKJSA-N
Catalogue number
GC60155
Brand
GLPBIO
Computed properties PubChem CID 10450386 · TPSA 82.6 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
82.6 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

SMILES C1[C@H](COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCN.Cl

Computed descriptors from PubChem (CID 10450386), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.