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(S) -OPC-51803

CAT: 0804-HY-116567A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116567A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -OPC-51803 is an agonist of the vasopressin V2 receptor, with activity in suppressing nocturia and urinary incontinence. (S) -OPC-51803 was evaluated in terms of biological activity and showed a stronger V2 receptor agonist effect compared to its (R) -isomer. The use of (S) -OPC-51803 may improve the patient's ability to control nocturnal polyuria[1].
CAS Number
192514-57-1
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/s-opc-51803.html
Purity
99.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=C(C=C(N2CCCC2)C=C1)Cl)N3C4=CC=CC=C4[C@@H](CCC3)CC(NC(C)C)=O
Molecular Formula
C26H32ClN3O2
Molecular Weight
454.00
References & Citations
[1]Characterization of orally active nonpeptide vasopressin V (2) receptor agonist. Synthesis and biological evaluation of both the (5R) - and (5S) -enantioisomers of 2-[1- (2-Chloro-4-pyrrolidin-1-yl-benzoyl) -2,3,4,5-tetrahydro-1H-1-benzazepin- 5-yl]-N-isopropylacetamide
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[2-(4-Methoxyphenyl)ethyl]-4-oxoquinoline-3-carbonitrile
CAS Number192514-57-1
PubChem CID169553390
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-4-oxoquinoline-3-carbonitrile
Molecular FormulaC19H16N2O2
Molecular Weight304.3
XLogP3.6
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity511
SMILES
COC1=CC=C(C=C1)CCN2C=C(C(=O)C3=CC=CC=C32)C#N
InChI
InChI=1S/C19H16N2O2/c1-23-16-8-6-14(7-9-16)10-11-21-13-15(12-20)19(22)17-4-2-3-5-18(17)21/h2-9,13H,10-11H2,1H3
InChIKey
TVMMZEMHBVVUAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(4-Methoxyphenyl)ethyl]-4-oxoquinoline-3-carbonitrile
CAS: 192514-57-1
CID: 169553390
Formula: C19H16N2O2
MW: 304.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.3
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass304.121177757
Monoisotopic Mass304.121177757
Topological Polar Surface Area53.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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