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AL 8810 isopropyl ester

CAT: 0607-C3240-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C3240-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
lipid soluble, esterified prodrug form of AL 8810, a FP receptor antagonist
CAS Number
208114-93-6
Product Name Alternative
9α,15R-dihydroxy-11β-fluoro-15-(2,3-dihydro-1H-inden-2-yl)-16,17,18,19,20-pentanor-prosta-5Z,13E-dien-1-oic acid, isopropyl ester
Field of Research
GPCR G protein Prostaglandin Receptor
Purity
0.98
Form
A crystalline solid
Solubility
≤25mg/ml in ethanol;25mg/ml in DMSO;25mg/ml in dimethyl formamide
Smiles
CC(C)OC(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2CC3=CC=CC=C3C2)[C@@H](F)C[C@@H]1O)=O
Molecular Formula
C27H37FO4
Molecular Weight
444.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

AL 8810 isopropyl ester
CAS Number208114-93-6
PubChem CID12112853
IUPAC Namepropan-2-yl (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 FormulaC27H37FO4
Molecular Weight444.6
XLogP4.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity632
SMILES
CC(C)OC(=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/C27H37FO4/c1-18(2)32-27(31)12-6-4-3-5-11-23-22(24(28)17-26(23)30)13-14-25(29)21-15-19-9-7-8-10-20(19)16-21/h3,5,7-10,13-14,18,21-26,29-30H,4,6,11-12,15-17H2,1-2H3/b5-3-,14-13+/t22-,23-,24+,25+,26+/m1/s1
InChIKey
NHXJEEIAJJWMNC-IHMKMYTQSA-N
Chemical Structure
2D Structure
2D structure of AL 8810 isopropyl ester
CAS: 208114-93-6
CID: 12112853
Formula: C27H37FO4
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass444.26758782
Monoisotopic Mass444.26758782
Topological Polar Surface Area66.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity632
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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