ChemicalBook--->CAS DataBase List--->96893-06-0

96893-06-0

96893-06-0 Structure

96893-06-0 Structure
IdentificationBack Directory
[Name]

1,2-dihexanoyl-sn-glycero-3-phosphoethanolaMine
[CAS]

96893-06-0
[Synonyms]

PE(6:0/6:0)
1,2-dihexanoyl-sn-glycero-3-phosphoethanolaMine
1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE;06:0 PE
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] hexanoate
(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dihexanoate
[Molecular Formula]

C17H34NO8P
[MDL Number]

MFCD02259263
[MOL File]

96893-06-0.mol
[Molecular Weight]

411.428
Chemical PropertiesBack Directory
[Boiling point ]

518.0±60.0 °C(Predicted)
[density ]

1.160±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

powder
[pka]

1.10±0.50(Predicted)
[InChI]

1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m1/s1
[InChIKey]

PELYUHWUVHDSSU-OAHLLOKOSA-N
[SMILES]

[H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CCCCC)=O)COC(CCCCC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H319-H331-H336-H351-H361d-H372-H412
[Precautionary statements ]

P201-P273-P301+P312+P330-P302+P352-P304+P340+P311-P308+P313
[WGK Germany ]

WGK 3
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Carc. 2
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT RE 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

1,2-Dihexanoyl-sn-glycero-phosphoethanolamine s used as drug dosage form of phenylcarbamoylaminobenzoates for enhancing cell survival rate.
[Definition]

ChEBI: 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are both specified as hexanoyl. It is functionally related to a hexanoic acid. It is a tautomer of a 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine zwitterion.
[Biological Activity]

Phosphoethanolamine (PE) is known to possess antitumor activity and inhibitory effects on tumor progression in vivo. It also exhibits antiproliferative and proapoptotic effects. It acts as a precursor of phosphatidylcholine and phosphatidylethanolamine.
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