다브라페닙

한글명:다브라페닙

카스 번호1195765-45-7

상품명:Dabrafenib

CBNumberCB32604230

분자식C23H20F3N5O2S2

포뮬러 무게519.56

MOL 파일1195765-45-7.mol

동의어(한글)

다브라페닙

화학적 성질

녹는점	214-216oC
끓는 점	653.7±65.0 °C(Predicted)
밀도	1.443
저장 조건	-20°C
용해도	DMSO(가온 시 최대 30mg/ml) 또는 에탄올(가온 시 최대 1mg/ml)에 용해됩니다.
물리적 상태	백색 고체.
산도 계수 (pKa)	6.62±0.10(Predicted)
색상	회백색
안정성	제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
InChIKey	BFSMGDJOXZAERB-UHFFFAOYSA-N
SMILES	C1(S(NC2=CC=CC(C3=C(C4C=CN=C(N)N=4)SC(C(C)(C)C)=N3)=C2F)(=O)=O)=C(F)C=CC=C1F

위험 및 안전 성명

HS 번호

29350090

그림문자(GHS)

다브라페닙 화학적 특성, 용도, 생산

개요
In May 2013, the US FDA approved dabrafenib (also referred to as GSK 2118436) for the treatment of patients with unresectable or metastatic melanoma with the BRAF^V600E mutation as detected by a FDA-approved test. Dabrafenib was identified from a screen of an oncology-directed kinase collection, followed by extensive structure–activity relationships (SAR) on an initial thiazole lead. Dabrafenib is a potent inhibitor of B-BRAF^V600E kinase (IC₅₀=0.65 nM) compared to its potency against wild-type B-raf (IC₅₀=3.2 nM). It also inhibits other kinases (e.g., CRAF) and other mutant B-raf kinases (BRAF^V600E and BRAF^V600D) with enzyme IC_50s of <5 nM and is fairly selective versus a panel of 270 kinases. Consistent with its in vitro activity, oral administration of dabrafenib inhibits the growth of B-Raf^V600E mutant melanoma (A375P) and colon cancer (Colo205) human tumor xenografts growing subcutaneously in immunocompromised mice. Key steps in the synthesis of dabrafenib are condensation of an aryl sulfonamide ester with the lithium anion of 2-chloro-4-methylpyrimidine to generate a ketone intermediate and bromination of the ketone intermediate with N-bromosuccinamide followed by cyclization with tert-butyl thioamide to afford the desired thiazole core.
용도
Dabrafenib is an inhibitor of mutated BRAF kinase and has clinical activity with a manageable safety profile in clinical trials of phase 1 and 2 in patients with BRAF(V600)-mutated metastatic melanoma.
정의
ChEBI: An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma.
일반 설명
Class: dual threonine/tyrosine kinase; Treatment: melanoma with BRAF mutations; Oral bioavailability = 95%; Elimination half-life = 8 h; Protein binding = 99.7%

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