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SERCA2a activator 1

CAT: 0931-T16873-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T16873-04Size:10 mg
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CAS Number
2139330-34-8
Target
Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Purity
0.9975
Bioactivity
SERCA2a activator 1 is a sarco/endoplasmic reticulum Ca2+-dependent ATPase 2a activator. SERCA2a activator 1 decreases phospholamban inhibition and enhances the systolic and diastolic functions of the heart.
Smiles
CCCCn1cc(cc(Cc2ccccc2)c1=O)-c1cc(ccn1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Molecular Formula
C32H29N3O4S
Molecular Weight
551.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SERCA2a activator 1
CAS Number2139330-34-8
PubChem CID146014433
IUPAC Name2-(5-benzyl-1-butyl-6-oxo-3-pyridinyl)-N-naphthalen-2-ylsulfonylpyridine-4-carboxamide
Molecular FormulaC32H29N3O4S
Molecular Weight551.7
XLogP5.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity1070
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
InChI
InChI=1S/C32H29N3O4S/c1-2-3-17-35-22-28(19-27(32(35)37)18-23-9-5-4-6-10-23)30-21-26(15-16-33-30)31(36)34-40(38,39)29-14-13-24-11-7-8-12-25(24)20-29/h4-16,19-22H,2-3,17-18H2,1H3,(H,34,36)
InChIKey
DBGJRQXKIIMWLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SERCA2a activator 1
CAS: 2139330-34-8
CID: 146014433
Formula: C32H29N3O4S
MW: 551.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight551.7
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass551.18787759
Monoisotopic Mass551.18787759
Topological Polar Surface Area105 Ų
Heavy Atom Count40
Formal Charge0
Complexity1070
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