Mj33 lithium salt
Basic information
- CAS
199106-13-3- Standard SMILES
CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)([O-])OC.[Li+]- InChIKey
GDLMLQJISATCEL-UHFFFAOYSA-M- Molecular formula
- C22H43F3LiO6P
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.29093901
Names & identifiers
- Preferred name
- Mj33 lithium salt
- IUPAC
- lithium [1-hexadecoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl phosphate
- English name
- MJ 33
- Molecular formula
- C22H44F3O7P
- Molecular weight
- 508.55
Names & synonyms
mj33 lithium saltMJ33 (lithium salt)1007476-63-2199106-13-3lithium;[1-hexadecoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl phosphateMJ 33 Lithium SaltMJ33LithiumSalt137300-78-8lithium 1-(hexadecyloxy)-3-(2,2,2-trifluoroethoxy)propan-2-yl methyl phosphateC22H43F3LiO6Porb1692035SCHEMBL29381052
Show more names
MJ33-OHPhosphoric acid, mono[1-[(hexadecyloxy)methyl]-2-(2,2,2-trifluoroethoxy)ethyl] mono(hydroxymethyl) ester
DTXSID30274419AKOS040745238DA-75573HY-115062CS-0034508MJ33 lithium salt, powder, >=90% (NMR)T38404Lithium(1+) 1-(hexadecyloxy)-3-(2,2,2-trifluoroethoxy)propan-2-yl methyl phosphate
Database identifiers
- CAS
199106-13-3- PubChem CID
- 4214
- DTXSID
DTXSID30274419- Nikkaji
- J1.860.756E
Properties
Computed structural properties
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: ≥5mg/mL (warmed at 60 °C)
- form
- solid
- color
- white to beige
- Water Solubility
- 2 O: · H2O: ≥5mg/mL (warmed at 60 °C)
- InChI
- 1S/C22H44F3O6P.Li/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25;/h21H,3-20H2,1-2H3,(H,26,27);/q;+1/p-1
- InChIKey
- GDLMLQJISATCEL-UHFFFAOYSA-M
- SMILES
- CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(OC)([O-])=O.[Li+]
- UNSPSC Code
- 41106300 · 41106300
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMJ33 lithium salt has been used as a peroxiredoxin VI (Prdx6) inhibitor: to study its specific Prdx6 peroxidase activity in vitro and in breast cancer cell line (MCF-7) cell lysates to study its effects on a mouse model of acute lung injury associated with exposure to hyperoxiato study its potential use as a therapeutic agent
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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