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Edelfosine - ≥95%(HPLC), high purity , CAS No.70641-51-9

COA COA
    Grade & Purity:
  • ≥95%(HPLC)
  • Cas Number:  70641-51-9
  • Molecular Weight:  523.73
  • PubChem CID: 1392
In stock
Item Number
E691132
Grouped product items
SKU Size
Availability
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E691132-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$572.90
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View related series
Apoptosis (4276) Phospholipid (111)

Basic Description

Specifications & Purity ≥95%(HPLC)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Glycerophospholipids
Subclass Glycerophosphocholines
Intermediate Tree Nodes Not available
Direct Parent Dialkylglycerol-3-phosphocholines
Alternative Parents Phosphocholines  Glycerol ethers  Dialkyl phosphates  Tetraalkylammonium salts  Dialkyl ethers  Organopnictogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Amines  
Molecular Framework Aliphatic acyclic compounds
Substituents Dialkylglycero-3-phosphocholine - Phosphocholine - Glycerol ether - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Quaternary ammonium salt - Tetraalkylammonium salt - Ether - Dialkyl ether - Amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
Description This compound belongs to the class of organic compounds known as dialkylglycerol-3-phosphocholines. These are glycerophosphocholines in which the glycerol moiety is bonded to two aliphatic (saturated or unsaturated) chains through ether linkages.
External Descriptors glycerophosphocholine

Associated Targets(Human)

PTAFR Tchem Platelet activating factor receptor (2575 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BT-474 (2113 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BXPC-3 (2997 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caco-2 (12174 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DLD-1 (17511 Activities)
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DMS-273 (14108 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PANC-1 (6144 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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SNB-78 (14240 Activities)
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THP-1 (11052 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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MIA PaCa-2 (5949 Activities)
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EKVX (44102 Activities)
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Associated Targets(non-human)

Enterococcus (1748 Activities)
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Staphylococcus aureus (210822 Activities)
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Escherichia coli (133304 Activities)
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Leishmania infantum (5912 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Leishmania donovani (89745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus 1 (70413 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDCK (10148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
P388 (20296 Activities)
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P388/ADR (1216 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
INCHI InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3
InChIKey MHFRGQHAERHWKZ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Isomeric SMILES CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
WGK Germany 3
Molecular Weight 523.73
Reaxy-Rn 4358577
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4358577&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 523.700 g/mol
XLogP3 7.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 27
Exact Mass 523.4 Da
Monoisotopic Mass 523.4 Da
Topological Polar Surface Area 77.100 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 492.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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