Vortioxetine hydrobromide

한글명:Vortioxetine hydrobromide

카스 번호960203-27-4

상품명:Vortioxetine hydrobromide

CBNumberCB72614372

분자식C18H23BrN2S

포뮬러 무게379.36

MOL 파일960203-27-4.mol

화학적 성질

녹는점	>223°C (dec.)
저장 조건	Refrigerator
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
물리적 상태	단단한 모양
색상	페일베이지부터 라이트베이지까지
InChI	InChI=1S/C18H22N2S.BrH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H
InChIKey	VNGRUFUIHGGOOM-UHFFFAOYSA-N
SMILES	S(C1C=CC(C)=CC=1C)C1C=CC=CC=1N1CCNCC1.Br

위험 및 안전 성명

HS 번호

29339900

NFPA 704:

	0
2		0

그림문자(GHS)

Vortioxetine hydrobromide 화학적 특성, 용도, 생산

용도
Vortioxetine Hydrobromide is a multimodal serotonergic agent that inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT (1,2,3).
정의
ChEBI: Vortioxetine hydrobromide is a hydrobromide obtained by combining vortioxetine with one molar equivalent of hydrobromic acid. Used for treatment of major depressive disorder. It has a role as an antidepressant, an anxiolytic drug, a serotonergic antagonist and a serotonergic agonist. It contains a vortioxetine(1+).
Synthesis
As the picture 2 showed, we have developed a new and practical synthetic route to vortioxetine hydrobromide on a hectogram scale. Adopting commercially available materials, through simple and traditional steps, including nucleophilic substitution, catalytic hydrogenation, and cyclization of the piperazine ring, gave the final product in 63.2% yield over three steps and with 99.3% purity (HPLC). Purification methods for the intermediates involved in the route are also given.

Pic.3 A new synthetic route to vortioxetine hydrobromide
Solubility in water
Vortioxetine hydrobromide is slightly soluble in water; at ambient temperature solubility is equivalent to approximately 1.3 mg base/mL, pH being 5.5 in the saturated solution.
Mode of action
Vortioxetine Hydrobromide is a hydrobromide salt form of vortioxetine, a serotonin (5-HT) modulator and stimulator (SMS), with antidepressant activity. Vortioxetine inhibits the reuptake of serotonin and norepinephrine from the synaptic cleft and acts variably as a serotonin receptor agonist (5-HT1A), partial agonist (5-HT1B) or antagonist (5-HT3, 5-HT1D and 5-HT7). It is not clear how this agent's purported multimodal mechanism of action contributes to its antidepressant effect; however, it is presumed to increase the synaptic availability of serotonin and norepinephrine.

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