Edelfosine

Modify Date: 2026-07-16 17:47:19

Edelfosine Structure
Edelfosine structure
Common Name Edelfosine
CAS Number 77286-66-9 Molecular Weight 523.726
Density N/A Boiling Point N/A
Molecular Formula C27H58NO6P Melting Point N/A
MSDS N/A Flash Point N/A

 Use of Edelfosine


(R)-Edelfosine ((R)-ET-18-OCH3) is a ether lipid analog with anti-HIV and antineoplastic activity[1].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine
Synonym More Synonyms

 Edelfosine Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description (R)-Edelfosine ((R)-ET-18-OCH3) is a ether lipid analog with anti-HIV and antineoplastic activity[1].
Related Catalog
References

[1]. Xie X, et al. Interdigitation of bilayers from ether lipid analogs: (R)-PAF, (R)-Lyso-PAF and the antineoplastic (R)-ET-18-OMe. Biochim Biophys Acta. 1996 Aug 14;1283(1):111-8.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C27H58NO6P
Molecular Weight 523.726
Exact Mass 523.400146
PSA 86.86000
LogP 4.65
InChIKey MHFRGQHAERHWKZ-HHHXNRCGSA-N
SMILES CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Storage condition 20°C

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: 1-O-Octadecyl-2-O-Methyl-Sn-Glycero-3-Phosphocholine Material Safety Data Sheet
Synonym: Sn-ET-18-OCH3
CAS: 77286-66-9
Section 1 - Chemical Product MSDS Name:1-O-Octadecyl-2-O-Methyl-Sn-Glycero-3-Phosphocholine Material Safety Data Sheet
Synonym:Sn-ET-18-OCH3

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
77286-66-9 1-O-Octadecyl-2-O-Methyl-SN-Glycero-3- unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Deep freeze (below -20C).

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 77286-66-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: almost white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C27H58NO6P
Molecular Weight: 523.3829

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 77286-66-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-O-Octadecyl-2-O-Methyl-SN-Glycero-3-Phosphocholine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 77286-66-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77286-66-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77286-66-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Safety Phrases S22-S24/25

 EdelfosineBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist
Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: qHTS Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2...
Source: NCGC
Target: ubiquitin carboxyl-terminal hydrolase 2 isoform a [Homo sapiens]
External Id: UBCH001
Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315
Name: Antitumor activity was determined against the ip implanted L1210 leukemia in mice by ...
Source: ChEMBL
Target: L1210
External Id: CHEMBL707474
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
Name: A screen for small molecules that modulate mitochondrial supercomplex formation
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1482
Name: Inhibitor activity against A549 (Human lung carcinoma)cell line with varying concentr...
Source: ChEMBL
Target: A549
External Id: CHEMBL621422
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Edelfosine
UNII:1Y6SNA8L5S
iso-PPADS tetrasodium salt
(2R)-2-Methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
1-O-OCTADECYL-2-O-METHYL-RAC-GLYCERO-3-PHOSPHOCHOLINE
L-A-PHOSPHATIDYLCHOLINE-B-O-METHYL-GAMM A-O-OCTADECYL
2-O-METHYL-1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Ethanaminium, 2-[[hydroxy[(2R)-2-methoxy-3-(octadecyloxy)propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt
2-Methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Ethanaminium, 2-[[hydroxy[2-methoxy-3-(octadecyloxy)propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt
ET-18-OCH3
RAC-ET-18-OCH3
2-O-METHYL PAF C-18
SN-ET-18-OCH3
(±)-4-Hydroxy-7-methoxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphaheptacosan-1-aminium hydroxide inner salt 4-oxide
18:0-1:0 DIETHER PC

 Edelfosine | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: The English name of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine.
Q: What is the InChIKey of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: InChIKey of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is MHFRGQHAERHWKZ-HHHXNRCGSA-N.
Q: What is the molecular weight of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: Molecular weight of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is 523.726.
Q: What is the safety information for 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: Safety information for 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine: S22-S24/25.
Q: What are the uses of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: Main uses of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine: (R)-Edelfosine ((R)-ET-18-OCH3) is a ether lipid analog with anti-HIV and antineoplastic activity[1].
Q: What is the molecular formula of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: Molecular formula of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is C27H58NO6P.
Q: What is the polar surface area (PSA) of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: Polar surface area (PSA) of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is 86.86000.
Q: What is the CAS number of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: CAS number of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is 77286-66-9.
Q: What is the LogP of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: LogP of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is 4.65.
Q: What is the SMILES notation of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine?
A: SMILES notation of 1-o-octadecyl-2-o-methyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.

 Edelfosinefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

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