ChemicalBook > CAS DataBase List > 4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-

4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-

Product Name
4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-
CAS No.
2244614-14-8
Chemical Name
4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-
Synonyms
CYM-53093;Navacaprant;BTRX-335140;1-[6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolyl]-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine;1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine;4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-;CNS,BTRX-335140,CYM53093,U69593,Inhibitor,U2OS,Opioid Receptor,inhibit,BTRX335140,neurobehavioral disorder,CYM 53093,oral,BTRX 335140
CBNumber
CB35483744
Molecular Formula
C25H32FN5O2
Formula Weight
453.55
MOL File
2244614-14-8.mol
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4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)- Property

Boiling point:
649.8±65.0 °C(Predicted)
Density 
1.26±0.1 g/cm3(Predicted)
pka
9.04±0.20(Predicted)
form 
Solid
color 
Off-white to light yellow
InChI
InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3
InChIKey
CQOJHAJWCDJEAT-UHFFFAOYSA-N
SMILES
N1(C2C(C3ON=C(C)N=3)=C(C)C3C(N=2)=C(F)C=C(CC)C=3)CCC(NC2CCOCC2)CC1
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

ChemScene
Product number
CS-0087593
Product name
BTRX-335140
Purity
99.71%
Packaging
1g
Price
$3999
Updated
2021/12/16
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4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)- Chemical Properties,Usage,Production

Uses

Navacaprant (BTRX-335140) is a selective and orally active κ opioid receptor (KOR) antagonist, has antagonist activity for κOR, μOR and δOR with IC50 values of 0.8 nM, 110 nM, and 6500 nM, respectively. Navacaprant endows with favorable in vitro ADMET and in vivo pharmacokinetic profiles and medication-like duration of action in rats. Navacaprant distributes well into the CNS and can be used for the research of neuropathy[1].

in vivo

Navacaprant (BTRX-335140) (0.01-3 mg/kg; p.o. once) reduces U69,593- stimulated plasma prolactin secretion to levels of without U69,593 treatment[1]. Navacaprant (BTRX-335140) (1 mg/kg; i.p. once) blocks U-50488-induced antinociception from hot water[1].

1.19Pharmacokinetic Parameters of BTRX-335140 in rodents[1].
Rats
IV 1 mg/kg		Mice
IV 3 mg/kg		Rats
PO 5 mg/kg		Mice
PO 10 mg/kg
CL (mL/min/kg)10566.5
t1/2 (h)1.811.916.192.57
AUC0-t (h?ng/mL)153725265232
Vss (L/kg)13.87.72
F (%)30.212
Animal Model:Rat PRL model[1]
Dosage:0.01, 0.03, 0.1, 0.3, 1 and 3 mg/kg
Administration:Oral gavage; 0.01-3 mg/kg once
Result:Effectively decreased the high level prolactin caused by U69,593 even at a dosage of 0.1 mg/kg.
Animal Model:Adult male ICR mice with tail dipped into 50°C hot water[1]
Dosage:1 mg/kg
Administration:Intraperitoneal injection; 1 mg/kg once
Result:Blocked the U-50488-induced antinociception at 1 h but not at 24 h pretreatment time and showed a medication-like duration of action in blocking the KOR.

IC 50

κ Opioid Receptor/KOR: 0.8 nM (IC50); μ Opioid Receptor/MOR: 110 nM (IC50); δ Opioid Receptor/DOR: 6500 nM (IC50)

References

[1] Guerrero M, et al. Design and Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist (BTRX-335140). J Med Chem. 2019 Feb 28;62(4):1761-1780. DOI:10.1021/acs.jmedchem.8b01679

4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)- Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)- Suppliers

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2244614-14-8, 4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-Related Search:


  • 4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-
  • BTRX-335140
  • CYM-53093
  • Navacaprant
  • CNS,BTRX-335140,CYM53093,U69593,Inhibitor,U2OS,Opioid Receptor,inhibit,BTRX335140,neurobehavioral disorder,CYM 53093,oral,BTRX 335140
  • 1-[6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolyl]-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
  • 1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
  • 2244614-14-8
  • C25H32FN5O2