드라플라진

드라플라진 · Draflazine · 1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-

https://huagongshe.com/ko/chemical/60849

식별자 및 물리적 특성

CAS No.	120770-34-5
분자식	C30H33Cl2F2N5O2
평균 분자량	604.5 g/mol
단동위원소 질량	603.197937 g/mol
SMILES	NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIKey	IWMYIWLIESDFRZ-UHFFFAOYSA-N
PubChem CID	60849
ChEMBL	CHEMBL1628717
EC No.	802-344-4
DTXSID	DTXSID60869655
현지명	드라플라진

화학 및 물리적 성질

XLogP	5.4
극성 표면적	105
수소 결합 공여자 수	3
수소 결합 수용자 수	7
회전 가능 결합 수	11
무거운 원자 수	41
형식 전하	0
복잡도	810
녹는점	213.1 °C
끓는 점	755.9±60.0 °C(Predicted)
밀도	1.338±0.06 g/cm3(Predicted)
저장 조건	Store at -20°C
용해도	DMSO에 용해됨
물리적 상태	Solid
pKa(산도 계수)	12.37±0.70(Predicted)
색상	White to off-white

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

GHS 분류

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

용도

Draflazine can be used to treat SLC29A2 nuclear-expressing cancer.