Machine Learning in Chemistry about 90-44-8

About Anthrone, If you have any questions, you can contact Porter, JD; Vivas, O; Weaver, CD; Alsafran, A; DiMilo, E; Arnold, LA; Dickson, EJ; Dockendorff, C or concate me.. Computed Properties of C14H10O

Computed Properties of C14H10O. In 2019 BIOORG MED CHEM LETT published article about ACETYLCHOLINE-RELEASE ENHANCERS; LINOPIRDINE DUP 996; POTASSIUM CURRENTS; KCNQ; DRUG; MODULATORS; MECHANISM; AGENTS in [Porter, Jacob D.; Alsafran, Abdulmohsen; Dockendorff, Chris] Marquette Univ, Dept Chem, POB 1881, Milwaukee, WI 53201 USA; [Vivas, Oscar; Dickson, Eamonn J.] Univ Calif Davis, Dept Physiol & Membrane Biol, 1 Shields Ave, Davis, CA 95616 USA; [Weaver, C. David] Vanderbilt Univ, Vanderbilt Inst Chem Biol, Dept Pharmacol, Nashville, TN 37232 USA; [Weaver, C. David] Vanderbilt Univ, Vanderbilt Inst Chem Biol, Dept Chem, Nashville, TN 37232 USA; [DiMilo, Elliot; Arnold, Leggy A.] Univ Wisconsin, Milwaukee Inst Drug Discovery, Dept Chem & Biochem, Milwaukee, WI 53211 USA in 2019, Cited 34. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8.

A set of novel Kv7.2/7.3 (KCNQ2/3) channel blockers was synthesized to address several liabilities of the known compounds XE991 (metabolic instability and CYP inhibition) and the clinical compound DMP 543 (acid instability, insolubility, and lipophilicity). Using the anthrone scaffold of the prior channel blockers, alternative heteroarylmethyl substituents were installed via enolate alkylation reactions. Incorporation of a pyridazine and a fluorinated pyridine gave an analog (compound 18, JDP-107) with a promising combination of potency (IC50=0.16 mu M in a Kv7.2 thallium flux assay), efficacy in a Kv7.2/7.3 patch clamp assay, and drug-like properties.

About Anthrone, If you have any questions, you can contact Porter, JD; Vivas, O; Weaver, CD; Alsafran, A; DiMilo, E; Arnold, LA; Dickson, EJ; Dockendorff, C or concate me.. Computed Properties of C14H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem