Edelfosine
Also known as ET-18-OMe, 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine, Edelfosina
Key facts
What buyers check first
- CAS number
- 70641-51-9
- Formula
- C27H58NO6P
- Molar mass
- 523.74 g/mol
- HS code
- 292390
- Category
- Cationic surfactants
What is Edelfosine?
Plain description, key identifiers and synonyms
1-octadecyl-2-methylglycero-3-phosphocholine is a glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
- CAS number
- 70641-51-9 CAS number cross-checkedOther or deprecated CAS: 65492-82-2
- Molecular formula
- C27H58NO6P
- UNII
- 1Y6SNA8L5S
- MDL number
- MFCD00135190
- InChIKey
- MHFRGQHAERHWKZ-UHFFFAOYSA-N
- 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
- SMILES (canonical and isomeric)
- CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Synonyms
- ET-18-OMe
- 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine
- Edelfosina
- Edelfosinum
- ET 18-OCH3
- 1-Octadecyl-2-methylglycero-3-phosphocholine
- Racemic 1-O-octadecyl-2-O-methylglycero-3-phosphocholine
- 1-Octadecyl-2-methylglycero-3-phosphorylcholine
- rac-1-Octadecyl-2-methoxyglycero-3-phosphocholine
- 1-O-Octadecyl-2-O-methyl-rac-glyceryl-3-phosphorylcholine
- ET-18-O-Methyl
- 1-Octadecyl-2-methyl-sn-glycero-3-phosphocholine
- ET18-Ome
- 2-methoxy-PAF
- ET-18-Och(3)
- 1-O-Octadecyl-2-methyl-3-phosphatidylcholine
- 1-Octadecyl-2-methoxyglycero-3-phosphorylcholine
- 1-Octadecyl-2-methoxy-sn-glycero-3-phosphorylcholine
- 1-O-octadecyl-2-O-methylglycerophosphocholine
- 1-O-octadecyl-2-O-methyl-glycero-phosphocholine
- 1-Octadecyl-2-methoxy-rac-glycero-3-phosphocholine
- Et-18-OCH3
- Ro 14-5243
- 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
- NIOSH/GA4029000
Show all 35 synonymsShow fewer synonyms
- (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
- 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-
- 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
- rac-1-Octadecyl-2-methoxy-glycerophosphocholine
- Choline hydroxide, (+-)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt
- Choline hydroxide, 2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt
- 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (+/-)-
- 1-Octadecyl-2-methylphosphorylcholine
- Choline, 1-octadecyl-2-methoxy-3-phosphoryl-
- Phosphorylcholine, 1-octadecyl-2-methyl- (alp)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 523.74 g/molcalc.Computed value |
|---|---|
| Exact mass | 523.4002 Dacalc.Computed value |
| LogP (octanol/water) | 6.49calc.Computed value |
| Topological polar surface area | 77.05 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 27calc.Computed value |
| Heavy atoms | 35calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Edelfosine suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profileEdelfosineGrade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profileEdelfosineGrade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profileEdelfosineGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileEdelfosineGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
4 suppliers in 2 countries
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Edelfosine price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antineoplastic Agents
- Phosphodiesterase Inhibitors
Pharmacology
Edelfosine is a synthetic analog of lysophosphatidylcholine, an ether lipid, possessing anti-leishmanial and antineoplastic activity. The mechanism of action for edelfosine has not been fully elucidated. Targeting cellular membranes, edelfosine modulates membrane permeability, membrane lipid composition, and phospholipid metabolism. Edelfosine also inhibits the phosphatidylinositol 3 kinase (PI3K)-AKT/PKB survival pathway, possibly activating the pro-apoptotic stress-activated protein kinase (SAPK/JNK) pathways, thereby inducing apoptosis. In addition, this agent inhibits protein kinase C, intracellular activation of the Fas/CD95 receptor, and intracellular acidification. Anti-leishmanial activity may be due to inhibition of a glycosomal alkyl-specific-acylCoA acyltransferase. (NCI)
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Edelfosine is traded under.
Quaternary ammonium salts and hydroxides whether or not chemically defined not elsewhere classified…
- China36.7%
- United States14.2%
- Netherlands9.4%
- South Korea10.7%
- Germany10.1%
- United States9.9%
The HS code shown for Edelfosine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Edelfosine, based on the data on this page
What is Edelfosine?
What is the CAS number of Edelfosine?
What is the molecular formula and weight of Edelfosine?
What is Edelfosine used for?
Is Edelfosine hazardous?
What is the HS code of Edelfosine?
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What is the price of Edelfosine?
Guides for buyers
Practical guides that help when you source, ship or handle Edelfosine
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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