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Revexepride

CAT: 0804-HY-U00373-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00373-01Size:1 mg
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Description
Revexepride is a highly selective 5-HT4 receptor agonist, and a potential inducer of CYP3A4 enzyme, used for the treatment of gastroesophageal reflux disease.
CAS Number
219984-49-3
UNSPSC
12352005
Target
5-HT Receptor; Cytochrome P450
Type
Reference compound
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Revexepride.html
Purity
99.84
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(C1=C(OC(C)(C)C2)C2=C(N)C(Cl)=C1)NC[C@H]3[C@H](O)CN(CCCOC)CC3
Molecular Formula
C21H32ClN3O4
Molecular Weight
425.95
References & Citations
[1]David Pierce, et al. A phase 1 randomized study evaluating the effect of omeprazole on the pharmacokinetics of a novel 5-hydroxytryptamine receptor 4 agonist, revexepride (SSP-002358), in healthy adults. Drug Des Devel Ther. 2015; 9: 1257-1268.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
Apolipoprotein D; CYP3

Chemical Information

Revexepride

Revexepride is a small molecule drug. The usage of the INN stem '-pride' in the name indicates that Revexepride is a sulpiride derivative and analogue. Revexepride is under investigation in clinical trial NCT01472939 (Selective 5-HT4 Receptor Agonist and Proton Pump Inhibitor (PPI) in Subjects With Gastroesophageal Reflux Disease (GERD)). Revexepride has a monoisotopic molecular weight of 425.21 Da.

CAS Number219984-49-3
PubChem CID9823762
IUPAC Name4-amino-5-chloro-N-[[(3S,4S)-3-hydroxy-1-(3-methoxypropyl)piperidin-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
Molecular FormulaC21H32ClN3O4
Molecular Weight425.9
XLogP2.3
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity564
SMILES
CC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NC[C@@H]3CCN(C[C@H]3O)CCCOC)C
InChI
InChI=1S/C21H32ClN3O4/c1-21(2)10-15-18(23)16(22)9-14(19(15)29-21)20(27)24-11-13-5-7-25(12-17(13)26)6-4-8-28-3/h9,13,17,26H,4-8,10-12,23H2,1-3H3,(H,24,27)/t13-,17+/m0/s1
InChIKey
FOUUNSGQVBGYQM-SUMWQHHRSA-N
Chemical Structure
2D Structure
2D structure of Revexepride
CAS: 219984-49-3
CID: 9823762
Formula: C21H32ClN3O4
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass425.2081342
Monoisotopic Mass425.2081342
Topological Polar Surface Area97.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA5071-1Revexepride

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