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11-Deoxy Prostaglandin E2

CAT: 0804-HY-114910-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114910-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
11-Deoxy Prostaglandin E2 is a selective agonist of EP4 with an EC50 of 0.66 nM. 11-Deoxy Prostaglandin E2 is an analog of prostaglandin E2. 11-Deoxy Prostaglandin E2 can be used in study bone healing, heart failure, and other receptor associated conditions[1][2].
CAS Number
35536-53-9
UNSPSC
12352211
Hazard Statement
H302, H360
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/11-deoxy-prostaglandin-e2.html
Purity
99.0
Solubility
DMSO : 100 mg/mL (ultrasonic; warming)
Smiles
CCCCC[C@@H](/C=C/[C@@H](CCC1=O)[C@H]1C/C=C\CCCC(O)=O)O
Molecular Formula
C20H32O4
Molecular Weight
336.47
Precautions
H302, H360
References & Citations
[1]Holt MC, et al. Improved homology modeling of the human & rat EP4 prostanoid receptors. BMC Mol Cell Biol. 2019 Aug 27;20 (1) :37.|[2]Ungrin MD, et al. Key structural features of prostaglandin E (2) and prostanoid analogs involved in binding and activation of the human EP (1) prostanoid receptor. Mol Pharmacol. 2001 Jun;59 (6) :1446-56.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

11-Deoxy-PGE2

11-Deoxy-PGE2 is a prostanoid.

CAS Number35536-53-9
PubChem CID5283062
IUPAC Name(Z)-7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Molecular FormulaC20H32O4
Molecular Weight336.5
XLogP3.8
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count24
Formal Charge0
Complexity439
SMILES
CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-18,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
InChIKey
CTHZICXYLKQMKI-FOSBLDSVSA-N
Chemical Structure
2D Structure
2D structure of 11-Deoxy-PGE2
CAS: 35536-53-9
CID: 5283062
Formula: C20H32O4
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass336.23005950
Monoisotopic Mass336.23005950
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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