Products for Research Use Only

OPC 21268

CAT: 0013-GTR19160669-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160669-02Size:500 mg
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Description
OPC-21268 is a vasopressin 1 receptor antagonist potentially for the treatment of heart failure and hypertension. (In Vitro) :The concentration of Fuscoside (OPC-21268) that displaces 50% of specific AVP binding (IC50) is 0.4 μM for VI receptors and 100 μM for V2 receptors. The inhibition constant (Ki) of Fuscoside (OPC-21268) for V1 receptors (0.14 μM) . (In Vivo) :Fuscoside (OPC-21268) competitively and specifically antagonizes pressor responses to AVP in vivo. Oral administration of Fuscoside (OPC-21268) (10 mg/kg) inhibits the vasoconstriction induced by exogenous AVP in a dose- and time-dependent manner and the effect lasts for more than 8 hours at 30 mg/kg. Fuscoside (OPC-21268) predominantly exerts a protective effect in areas where the maximum amount of blood-brain barrier breakdown occurs, and it is effective in the treatment of cold-induced vasogenic brain edema. Fuscoside (OPC-21268) treatment at the dosages of 200 and 300 mg/kg significantly reduces brain water content in both hemispheres. Swelling of the traumatized hemispheres is also significantly reduced at 200 and 300 mg/kg dosages.
CAS Number
131631-89-5
Product Name Alternative
OPC-21268 | OPC21268 | OPC 21268
Purity
>98% (HPLC)
Solubility
DMSO : 50 mg/mL. 111.22 mM
Smiles
CC (=O) NCCCOC1=CC=C (C=C1) C (=O) N2CCC (CC2) N3C (=O) CCC4=CC=CC=C43
Molecular Formula
C26H31N3O4
Molecular Weight
449.55
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (3- (4- (4- (2-oxo-3,4-dihydroquinolin-1 (2H) -yl) piperidine-1-carbonyl) phenoxy) propyl) acetamide

Chemical Information

N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide

structure given in first source; vasopressin V1 receptor antagonist

CAS Number131631-89-5
PubChem CID114904
IUPAC NameN-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide
Molecular FormulaC26H31N3O4
Molecular Weight449.5
XLogP2.6
Topological Polar Surface Area79
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity683
SMILES
CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43
InChI
InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
InChIKey
KSNUCNRMDYJBKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CAS: 131631-89-5
CID: 114904
Formula: C26H31N3O4
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass449.23145648
Monoisotopic Mass449.23145648
Topological Polar Surface Area79 Ų
Heavy Atom Count33
Formal Charge0
Complexity683
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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