Mefloquine-[d9] Hydrochloride

Category	SARS-CoV
CAS	1217653-15-0
Description	Mefloquine-[d9] Hydrochloride is the labelled analogue of Mefloquine Hydrochloride. Mefloquine Hydrochloride is a blood schizonticide by inhibiting hemozoin formation, used as an antimalarial drug.

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Product Information

Synonyms	(±)-Mefloquine-d10 Hydrochloride; Loriam-d10; Mefloquin-d10 Hydrochloride; (S)-[2,8-Bis(trifluoromethyl)quinolin-4-yl][(2R)-(2,3,3,4,4,5,5,6,6-2H9)piperidin-2-yl]methanol-hydrogen chloride
IUPAC Name	(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-2,3,3,4,4,5,5,6,6-nonadeuteriopiperidin-2-yl]methanol;hydrochloride
Molecular Weight	423.83
Molecular Formula	C17H8D9ClF6N2O
Canonical SMILES	C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl
InChI	InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1/i1D2,2D2,6D2,7D2,12D;
InChIKey	WESWYMRNZNDGBX-NELCMFCPSA-N
Purity	≥97%
Solubility	Soluble in Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at 2-8°C
Complexity	483
Exact Mass	378.11668211
In Vitro	Mefloquine selectively inhibits prostate cancer (PCa) cell growth with an IC50 of ~10 μM. Mefloquine also induces hyperpolarization of the mitochondrial membrane potential (MMP), as well as ROS generation. Mefloquine (10 μM)-mediated ROS simultaneously downregulated Akt phosphorylation and activated ERK, JNK and AMPK signaling in PC3 cells. Mefloquine shows higher anti-SARS-CoV-2 activity than Hydroxychloroquine in VeroE6/TMPRSS2 and Calu-3 cells, with IC50 of 1.28 μM, IC90 of 2.31 μM, and IC99 of 4.39 μM in VeroE6/TMPRSS2 cells. Mefloquine inhibits viral entry after viral attachment to the target cell.
In Vivo	Mefloquine (5 mg/kg; i.p.; daily; 14 days) reverses the lower vertebral cancellous bone volume and bone formation; and has modest effects on cortical bone volume, thickness, and moment of inertia in old mice.
PSA	45.15000
Target	Parasite; Autophagy; SARS-CoV; Potassium Channel; ROS
XLogP3-AA	3.6