L-826266
Basic information
- CAS
244101-03-9- Standard SMILES
COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1cc(Cl)ccc1Cc1ccc2ccccc2c1- InChIKey
DYXFUJYHEDGCLS-UKTHLTGXSA-N- Molecular formula
- C27H21BrClNO4S
- Average molar mass
- 570.9 g/mol
- Monoisotopic mass
- 569.00632
Overview
a prostanoid EP3 receptor antagonist
Names & identifiers
- Preferred name
- L-826266
- IUPAC
- (E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
- English name
- L-826,266
- Molecular formula
- C27H21BrClNO4S
- Molecular weight
- 570.88
Names & synonyms
244101-03-9L-826266(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-(5-chloro-2-(naphthalen-2-ylmethyl)phenyl)prop-2-enamideRefChem:151785L-826,266MF266-3(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthalenylmethyl)phenyl]-2-propenamidecompound 10b [PMID: 11504634]LS-193774CID 9808643C27H21BrClNO4S
Show more names
266L-8262-Propenamide, N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[5-chloro-2-(2-naphthalenylmethyl)phenyl]-, (2E)-
GTPL5844orb1700181SCHEMBL1061876CHEMBL5303364SCHEMBL30145373AKOS040748715DA-65427HY-19361
Database identifiers
- CAS
244101-03-9- PubChem CID
- 9808643
- ChEMBL
CHEMBL5303364- Nikkaji
- J2.707.653J
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 847
Physicochemical properties
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 10 mg/ml
- form
- A crystalline solid
- pka
- 4.19 · 4.19±0.10(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
DescriptionL-826266 is a EP(1) receptor antagonist.
UsesL-826266 is a selective and competitive EP3 receptor antagonist. L-826266 can be used for convulsive disorders research[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…