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Ebopiprant

CAT: 0804-HY-112284-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112284-06Size:100 mg
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Description
Ebopiprant (OBE022) is an oral and selective prostaglandin F2α (PGF2α) receptor antagonist, with Kis of 1 nM, 26 nM for human and rat FP receptors, respectively.
CAS Number
2005486-31-5
Product Name Alternative
OBE022
UNSPSC
12352005
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/OBE022.html
Concentration
10mM
Purity
98.65
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(N[C@H](C1=CC=C(F)C=C1)CCOC([C@H](C(C)C)N)=O)[C@H](SCC2)N2S(C(C=C3)=CC=C3C4=CC=CC=C4)(=O)=O
Molecular Formula
C30H34FN3O5S2
Molecular Weight
599.74
References & Citations
[1]Oliver Pohl, et al. OBE022, an oral and selective prostaglandin F2α receptor antagonist as an effective and safe modality for the treatment of preterm labor. J Pharmacol Exp Ther. 2018 Aug;366 (2) :349-364.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
FP

Chemical Information

Ebopiprant

Ebopiprant is under investigation in clinical trial NCT03369262 (Poc Study of OBE022 in Threatened Preterm Labour).

CAS Number2005486-31-5
PubChem CID122522051
IUPAC Name[(3S)-3-(4-fluorophenyl)-3-[[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] (2S)-2-amino-3-methylbutanoate
Molecular FormulaC30H34FN3O5S2
Molecular Weight599.7
XLogP4.9
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity956
SMILES
CC(C)[C@@H](C(=O)OCC[C@@H](C1=CC=C(C=C1)F)NC(=O)[C@H]2N(CCS2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N
InChI
InChI=1S/C30H34FN3O5S2/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35)/t26-,27-,29-/m0/s1
InChIKey
UUIBKACUTXYSAK-YCVJPRETSA-N
Chemical Structure
2D Structure
2D structure of Ebopiprant
CAS: 2005486-31-5
CID: 122522051
Formula: C30H34FN3O5S2
MW: 599.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.7
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass599.19239170
Monoisotopic Mass599.19239170
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A19626-50Ebopiprant (OBE022) 50mg
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A19626-25Ebopiprant (OBE022) 25mg
A19626-5Ebopiprant (OBE022) 5mg
A19626-100Ebopiprant (OBE022) 100mg
A19626-10Ebopiprant (OBE022) 10mg

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