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PQ-1 (succinate)

CAT: 0804-HY-14584ASize: 1 EachDry Ice: NoHazardous: No
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Description
PQ-1 succinate is an inhibitor for gap junction, which suppresses the gap junction dye transfer activity in retinal neurosensory R28 cells, and inhibits the CoCl2-induced ischemic apoptosis in retinal cell[1].
CAS Number
955995-51-4
UNSPSC
12352005
Target
Apoptosis; Caspase; Gap Junction Protein
Type
Reference compound
Related Pathways
Apoptosis; Cytoskeleton
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pq-1-succinate.html
Smiles
NCCCNC1=C2N=CC=C(C2=C(C(OC)=C1)OC3=CC=CC(C(F)(F)F)=C3)C.O=C(CCC(O)=O)O
Molecular Formula
C25H28F3N3O6
Molecular Weight
523.50
References & Citations
[1]Das S, et al., Protection of retinal cells from ischemia by a novel gap junction inhibitor. Biochem Biophys Res Commun. 2008 Sep 5;373 (4) :504-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 4

Chemical Information

PQ1 Succinate
CAS Number955995-51-4
PubChem CID24758392
IUPAC Namebutanedioic acid;N'-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]propane-1,3-diamine
Molecular FormulaC25H28F3N3O6
Molecular Weight523.5
Topological Polar Surface Area144
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity601
SMILES
CC1=C2C(=C(C=C(C2=NC=C1)NCCCN)OC)OC3=CC=CC(=C3)C(F)(F)F.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C21H22F3N3O2.C4H6O4/c1-13-7-10-27-19-16(26-9-4-8-25)12-17(28-2)20(18(13)19)29-15-6-3-5-14(11-15)21(22,23)24;5-3(6)1-2-4(7)8/h3,5-7,10-12,26H,4,8-9,25H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKey
XFEIMRMBZQODRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PQ1 Succinate
CAS: 955995-51-4
CID: 24758392
Formula: C25H28F3N3O6
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass523.19302011
Monoisotopic Mass523.19302011
Topological Polar Surface Area144 Ų
Heavy Atom Count37
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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