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PPI-1040

CAT: 0804-HY-169784Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-169784Size:1 Each
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Description
PPI-1040 is a synthetic PlsEtn, a precursor of plasmalogens. PPI-1040 is an orally available plasmalogen analog that increases plasmalogen in several peripheral tissues of Pex7 low allele mice. PPI-1040 has the potential to replace deficient plasmalogen and inhibit chondrodysplasia punctata (RCDP) .
CAS Number
1436673-69-6
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(OC(CO/C=C\CCCCCCCCCCCCCC)COP1(NCCO1)=O)=O
Molecular Formula
C43H72NO6P
Molecular Weight
730.01
References & Citations
[1]Fallatah W, et al. Oral administration of a synthetic vinyl-ether plasmalogen normalizes open field activity in a mouse model of rhizomelic chondrodysplasia punctata. Dis Model Mech. 2020 Jan 24;13 (1) :dmm042499.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ppi-1040
CAS Number1436673-69-6
PubChem CID89584363
IUPAC Name[1-[(Z)-hexadec-1-enoxy]-3-[(2-oxo-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Molecular FormulaC43H72NO6P
Molecular Weight730.0
XLogP13.1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count35
Heavy Atom Count51
Formal Charge0
Complexity1080
SMILES
CCCCCCCCCCCCCC/C=C\OCC(COP1(=O)NCCO1)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H72NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)50-42(41-49-51(46)44-37-39-48-51)40-47-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,38,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36-37,39-41H2,1-2H3,(H,44,46)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,38-35-
InChIKey
SKDNPCDRIUQGAL-XTJCVSPVSA-N
Chemical Structure
2D Structure
2D structure of Ppi-1040
CAS: 1436673-69-6
CID: 89584363
Formula: C43H72NO6P
MW: 730.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight730.0
XLogP313.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count35
Exact Mass729.50972601
Monoisotopic Mass729.50972601
Topological Polar Surface Area83.1 Ų
Heavy Atom Count51
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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