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JTV-519 free base

CAT: 0931-T11731-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11731-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145903-06-6
Target
FLT, Calcium Channel
Related Pathways
Angiogenesis, Membrane transporter/Ion channel, Tyrosine Kinase/Adaptors, Metabolism
Bioactivity
JTV-519 free base (K201 free base), known for its antiarrhythmic and cardioprotective properties, acts as a Ca2+-dependent blocker of sarcoplasmic reticulum Ca2+-stimulated ATPase (SERCA) and as a partial agonist of ryanodine receptors in striated muscle.
Smiles
O=C(N1CC2=CC(OC)=CC=C2SCC1)CCN3CCC(CC=4C=CC=CC4)CC3
Molecular Formula
C25H32N2O2S
Molecular Weight
424.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jtv-519 free base
CAS Number145903-06-6
PubChem CID1715
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one
Molecular FormulaC25H32N2O2S
Molecular Weight424.6
XLogP4.1
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity531
SMILES
COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3
InChIKey
KCWGETCFOVJEPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jtv-519 free base
CAS: 145903-06-6
CID: 1715
Formula: C25H32N2O2S
MW: 424.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.6
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass424.21844944
Monoisotopic Mass424.21844944
Topological Polar Surface Area58.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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