AL 8810 methyl ester

Base Information

• Chemical Name: AL 8810 methyl ester
• CAS No.: 1176541-11-9
• Molecular Formula: C25H33FO4
• Molecular Weight: 416.5
• DSSTox Substance ID: DTXSID001347566
• Mol file: 1176541-11-9.mol

Synonyms:AL 8810 methyl ester;1176541-11-9;methyl (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate;CHEBI:186084;DTXSID001347566;methyl (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-luoro-5-hydroxycyclopentyl]hept-5-enoate

Chemical Property of AL 8810 methyl ester

Chemical Property:

• PKA: 14.21±0.70(Predicted)
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 416.23628769
• Heavy Atom Count: 30
• Complexity: 590

Purity/Quality:

≥98% ^*data from raw suppliers

AL 8810 methyl ester ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCCC=CCC1C(CC(C1C=CC(C2CC3=CC=CC=C3C2)O)F)O
• Isomeric SMILES: COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@@H]([C@@H]1/C=C/[C@@H](C2CC3=CC=CC=C3C2)O)F)O
• Description: AL 8810 is an 11β-fluoro analog of prostaglandin F2α (PGF2α) which acts as a potent and selective antagonist at the FP receptor. AL 8810 methyl ester is a lipid soluble, esterified prodrug form of AL 8810 analogous to the commonly used therapeutic intraocular prostaglandin compounds such as latanoprost and travoprost. The pharmacology of AL 8810 methyl ester has not been published.