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PED6

CAT: 0013-GTR19301782-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19301782-01Size:50 mg
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Description
PED6 is a BODIPY-labeled fluorescent phosphatidylethanolamine probe (Ex/Em 488/530 nm) designed as a substrate for phospholipase A2 (PLA2) . It is widely used in both in vitro enzymatic assays and in vivo imaging studies to monitor PLA2 activity in research areas such as inflammation and lipid metabolism.
CAS Number
388061-84-5
Molecular Weight
1136.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N,N-diethylethanamine;[2-[5-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)pentanoyloxy]-3-hexadecanoyloxypropyl] 2-[6-(2,4-dinitroanilino)hexanoylamino]ethyl phosphate;hydron
CAS Number388061-84-5
PubChem CID172653082
IUPAC NameN,N-diethylethanamine;[2-[5-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)pentanoyloxy]-3-hexadecanoyloxypropyl] 2-[6-(2,4-dinitroanilino)hexanoylamino]ethyl phosphate;hydron
Molecular FormulaC55H89BF2N7O13P
Molecular Weight1136.1
Topological Polar Surface Area255
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count18
Rotatable Bond Count41
Heavy Atom Count79
Formal Charge0
Complexity1900
SMILES
[H+].[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C)C)(F)F.CCN(CC)CC
InChI
InChI=1S/C49H74BF2N6O13P.C6H15N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-48(60)68-36-43(71-49(61)25-20-19-22-40-26-27-41-34-45-38(2)33-39(3)55(45)50(51,52)56(40)41)37-70-72(66,67)69-32-31-54-47(59)23-17-16-21-30-53-44-29-28-42(57(62)63)35-46(44)58(64)65;1-4-7(5-2)6-3/h26-29,33-35,43,53H,4-25,30-32,36-37H2,1-3H3,(H,54,59)(H,66,67);4-6H2,1-3H3
InChIKey
LLZQJHKTFZEMOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-diethylethanamine;[2-[5-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)pentanoyloxy]-3-hexadecanoyloxypropyl] 2-[6-(2,4-dinitroanilino)hexanoylamino]ethyl phosphate;hydron
CAS: 388061-84-5
CID: 172653082
Formula: C55H89BF2N7O13P
MW: 1136.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1136.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count18
Rotatable Bond Count41
Exact Mass1135.6317094
Monoisotopic Mass1135.6317094
Topological Polar Surface Area255 Ų
Heavy Atom Count79
Formal Charge0
Complexity1900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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CatalogName
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