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Chemical structure of SERCA2a activator 1

GC64311

SERCA2a activator 1

Also known as 2-(5-benzyl-1-butyl-6-oxo-3-pyridinyl)-N-naphthalen-2-ylsulfonylpyridine-4-carboxamide

SERCA2a activator 1 (Compound A) is a sarco/endoplasmic reticulum Ca2+-dependent ATPase 2a (SERCA2a) activator

ChemicalCAS2139330-34-8MW551.66FormulaC32H29N3O4S
CAS number
2139330-34-8
Molecular weight
551.66
Formula
C32H29N3O4S
Solubility
DMSO ： 62·5 mg/mL (113·29 mM; ultrasonic and warming and heat to 80°C)
InChIKey
DBGJRQXKIIMWLS-UHFFFAOYSA-N
Catalogue number
GC64311
Brand
GLPBIO
Computed properties PubChem CID 146014433 · XLogP 5.4 · TPSA 105 Ų · H-bond donors 1
XLogP
5.4
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40

SMILES CCCCN1C=C(C=C(C1=O)CC2=CC=CC=C2)C3=NC=CC(=C3)C(=O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Computed descriptors from PubChem (CID 146014433), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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