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Chemical structure of JTV-519 free base

GC36371

JTV-519 free base

Also known as 3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one

JTV-519 free base (K201 free base) is a Ca2+-dependent blocker of sarcoplasmic reticulum Ca2+-stimulated ATPase (SERCA) and a partial agonist of ryanodine receptors in striated muscle

ChemicalCAS145903-06-6MW424.6FormulaC25H32N2O2S
CAS number
145903-06-6
Molecular weight
424.6
Formula
C25H32N2O2S
Solubility
Soluble in DMSO
InChIKey
KCWGETCFOVJEPI-UHFFFAOYSA-N
Catalogue number
GC36371
Brand
GLPBIO
Computed properties PubChem CID 1715 · XLogP 4.1 · TPSA 58.1 Ų · H-bond donors 0
XLogP
4.1
TPSA
58.1 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30

SMILES COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 1715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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