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AL 8810 methyl ester

CAT: 0804-HY-118190-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118190-01Size:1 mg
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Description
AL 8810 methyl ester is a prostaglandin F (2α) analog and a prostaglandin F (2α) receptor agonist. Can competitively antagonize the effects of the FP receptor agonist Fluprostenol. AL 8810 methyl ester has no significant potency against TP, DP, EP (2), EP (4) receptor subtypes in cell lines[1].
CAS Number
1176541-11-9
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/al-8810-methyl-ester.html
Solubility
10 mM in DMSO
Smiles
O[C@H](C1CC2=CC=CC=C2C1)/C=C/[C@@H]3[C@H]([C@H](C[C@@H]3F)O)C/C=C\CCCC(OC)=O
Molecular Formula
C25H33FO4
Molecular Weight
416.53
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
[1]Griffin BW, et al. AL-8810: a novel prostaglandin F2 alpha analog with selective antagonist effects at the prostaglandin F2 alpha (FP) receptor. J Pharmacol Exp Ther. 1999 Sep;290 (3) :1278-84.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AL 8810 methyl ester

AL 8810 methyl ester is a member of indanes.

CAS Number1176541-11-9
PubChem CID35027391
IUPAC Namemethyl (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
Molecular FormulaC25H33FO4
Molecular Weight416.5
XLogP4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity590
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
InChI
InChI=1S/C25H33FO4/c1-30-25(29)11-5-3-2-4-10-21-20(22(26)16-24(21)28)12-13-23(27)19-14-17-8-6-7-9-18(17)15-19/h2,4,6-9,12-13,19-24,27-28H,3,5,10-11,14-16H2,1H3/b4-2-,13-12+/t20-,21-,22+,23+,24+/m1/s1
InChIKey
SUQUNXDCROKALM-ZOXVUOEWSA-N
Chemical Structure
2D Structure
2D structure of AL 8810 methyl ester
CAS: 1176541-11-9
CID: 35027391
Formula: C25H33FO4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass416.23628769
Monoisotopic Mass416.23628769
Topological Polar Surface Area66.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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