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RL71

CAT: 0013-GTR19208109-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208109-01Size:25 mg
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Description
RL71 is a selective SERCA2 inhibitor that binds a novel allosteric site, suppressing its Ca2+-ATPase activity. This action induces apoptosis and downregulates Akt signaling, making it a useful research tool for studying calcium dysregulation and cell death pathways in cancer and cardiovascular disease models, both in vitro and in vivo.
CAS Number
1195795-93-7
Smiles
C (\C1=CC (OC) =C (OC) C (OC) =C1) =C\2/C (=O) \C (=C\C3=CC (OC) =C (OC) C (OC) =C3) \CN (C) C2
Molecular Formula
C26H31NO7
Molecular Weight
469.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
CAS Number1195795-93-7
PubChem CID2327500
IUPAC Name(3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
Molecular FormulaC26H31NO7
Molecular Weight469.5
XLogP3.5
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity653
SMILES
CN1C/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C1
InChI
InChI=1S/C26H31NO7/c1-27-14-18(8-16-10-20(29-2)25(33-6)21(11-16)30-3)24(28)19(15-27)9-17-12-22(31-4)26(34-7)23(13-17)32-5/h8-13H,14-15H2,1-7H3/b18-8+,19-9+
InChIKey
OGEWTDITEXRGCF-GCBPPVMSSA-N
Chemical Structure
2D Structure
2D structure of (3E,5E)-1-methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
CAS: 1195795-93-7
CID: 2327500
Formula: C26H31NO7
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass469.21005233
Monoisotopic Mass469.21005233
Topological Polar Surface Area75.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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