所有图片(2)
About This Item
经验公式（希尔记法）:
C8H6BrNO2
CAS号:
分子量:
228.04
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
97%
表单
solid
mp
220-225 °C
官能团
bromo
SMILES字符串
Brc1ccc2OCC(=O)Nc2c1
InChI
1S/C8H6BrNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
InChI key
UQCFMEFQBSYDHY-UHFFFAOYSA-N
应用
用于构建嘧啶基取代苯并噁嗪酮、小分子凝乳酶抑制剂的结构单元。
警示用语：
Warning
危险分类
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
11 - Combustible Solids
WGK
WGK 2
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
Noel A Powell et al.
Bioorganic & medicinal chemistry, 15(17), 5912-5949 (2007-06-19)
We report the design and synthesis of a series of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as orally bioavailable small molecule inhibitors of renin. Compounds with a 2-methyl-2-aryl substitution pattern exhibit potent renin inhibition and good permeability, solubility, and metabolic stability. Oral bioavailability was found
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