돌루테그라비르

한글명:돌루테그라비르

카스 번호1051375-16-6

상품명:GSK1349572

CBNumberCB62538916

분자식C20H19F2N3O5

포뮬러 무게419.38

MOL 파일1051375-16-6.mol

동의어(한글)

돌루테그라비르

화학적 성질

녹는점	187-189°C
끓는 점	669.0±55.0 °C(Predicted)
밀도	1.53
저장 조건	Refrigerator
용해도	DMSO(약간 용해됨， 가열, 초음파 처리), 메탄올(약간 용해됨， 가열, 초음파 처리)
산도 계수 (pKa)	4.50±1.00(Predicted)
물리적 상태	고체
물리적 상태	단단한 모양
색상	흰색에서 옅은 베이지까지

위험 및 안전 성명

유해 물질 데이터

1051375-16-6(Hazardous Substances Data)

NFPA 704:

	0
2		0

그림문자(GHS)

돌루테그라비르 화학적 특성, 용도, 생산

개요
In August 2013, the US FDA approved dolutegravir (also referred to as S/GSK1349572) for the treatment of HIV-1 infection in adults and children ages 12 years and older in combination with other antiretroviral drugs. Dolutegravir was approved in Canada in November 2013. HIV/AIDS remains a global epidemic with 35 million people infected, including 2.3 million new infections as of 2012. Dolutegravir joins raltegravir and elvitegravir (this chapter of ARMC) as the latest of three FDA-approved HIV integrase strand transfer inhibitors (INSTIs). Dolutegravir was discovered by rational design from a literature diketo acid HIV integrase inhibitor utilizing X-ray coordinates to predict ideal bond angles between the diketone and distal benzyl group. In dolutegravir, the monocyclic component of the reported inhibitor was replaced with the tricyclic carbamoyl pyridone moiety. The researchers postulated that the appropriate arrangement of three oxygens would permit chelation with two magnesium ions in the binding site thus affording improved potency. Ultimately, this arrangement along with further modifications afforded dolutegravir, a potent inhibitor of HIV integrase (IC₅₀=1.7 nM).
화학적 성질
White Solid
용도
Dolutegravir is a second generation HIV-1 integrase strand transfer inhibitor. Dolutegravir is currently in Phase III clinical trials for the treatment of HIV infection. Dolutegravir has been shown to potently inhibit HIV replication in cells such as peripheral blood mononuclear cells (PBMCs), MT-4 cells and CIP4 cells infected with a self-inactivating PHIV lentiviral vector.
정의
ChEBI: A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]ox zine-9-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1.

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