SOFINICLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H11Cl2N3
Molecular Weight	244.12
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CN[C@]1([H])CN(C2)C3=CC(Cl)=C(Cl)N=C3

InChI

InChIKey=MBQYQLWSBRANKQ-IMTBSYHQSA-N

InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H11Cl2N3
Molecular Weight	244.12
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800019709 | https://www.ncbi.nlm.nih.gov/pubmed/24965900

Sofinicline is a selective agonist of the a4b2 subtype of nAChR. It is under development by Abbott Laboratories in collaboration with NeuroSearch. It is produced as a capsule in doses of 1, 2 or 4 mg. Sofinicline is a full agonist of the a4b2 nAChR. It has high binding affinity, ~ 0.1 nM, for this receptor. Sofinicline is orally active and is metabolized hepatically. Sofinicline has been used in trials studying the treatment of ADHD, neuralgia, diabetic neuropathies, diabetic polyneuropathy, and diabetic neuropathic pain, among others.

Originator

Approval Year

PubMed

Title	Date	PubMed
Sofinicline: a novel nicotinic acetylcholine receptor agonist in the treatment of attention-deficit/hyperactivity disorder.	2014 Aug	24965900
Metabolism and disposition of ABT-894, a novel α4β2 neuronal acetylcholine receptor agonist, in mice and monkeys.	2014 Jun	24479584

Patents

Sample Use Guides

In Vivo Use Guide

Analgesic efficacy and safety of Sofinicline (ABT-894) was evaluated in 2 randomized, double-blind, multicenter, placebo-controlled clinical trials in patients with diabetic peripheral neuropathic pain (DPNP). Study 1 (280 patients randomized) tested 1, 2, and 4 mg ABT-894 twice daily compared with placebo and 60 mg duloxetine once per day over 8 weeks of treatment. Study 2 (124 patients randomized) tested 6 mg ABT-894 twice daily vs placebo for 8 weeks. A sofinicline dose of 4 mg orally twice a day, at steady state, produced a Cmax of 11 - 15 ng/ml.

Route of Administration: Oral

In Vitro Use Guide

Sofinicline is a full agonist of the a4b2 nAChR. It has high binding affinity, ~ 0.1 nM, for this receptor.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:19:38 GMT 2023` Edited by `admin` on `Sat Dec 16 17:19:38 GMT 2023`
Record UNII	SQC232V4YY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SOFINICLINE

Official Name

English

ABT-894

Code

English

sofinicline [INN]

Common Name

English

SOFINICLINE [USAN]

Common Name

English

3,6-DIAZABICYCLO(3.2.0)HEPTANE, 3-(5,6-DICHLORO-3-PYRIDINYL)-, (1S,5S)-

Systematic Name

English

A-422894.0

Code

English

(-)-(1S,5S)-3-(5,6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO(3.2.0)HEPTANE

Systematic Name

English

Sofinicline [WHO-DD]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C80527