化学性质
属性熔点
290-292 °C(lit.)
储存条件
2-8°C
描述
产品介绍
6(5H)-Phenanthridinone is a small molecule poly(ADP-ribose) polymerase (PARP) inhibitor with immunosupperessive effects. 6(5H)-Phenanthridinone has been shown to inhibit concanavilin A-induced lymphocyte proliferation, producing the observed immunosuppressant activity of this compound. It has also been shown to potentiate the effect of ionizing radiation on developing cells, strongly increasing the radiation-induced inhibition of cell proliferation, which suggests use of 6(5H)-Phenanthridinone as a probe into the role of PARP in cellular response to irradiation. Treatment of cells with 6(5H)-Phenanthridinone and various DNA-damaging agents showed a resistance to apoptosis versus treatment with DNA-damaging agents alone, indicating that PARP activity is involved in the apoptotic process.
别名
6(5H)-5-氮杂菲酮;6(5H)-菲啶酮;6(5H)-Phenanthridinone;5,6-Dihydrophenanthridin-6-one;NSC 11021;NSC 40943;NSC 61083
应用
Reactant involved in:Synthesis of 5,6-dihydrophenanthridine sulfonamides. Oxidative coupling with diphenylacetylene. Direct copper acetate-catalyzed N-cyclopropylation of cyclic amides.Reactant involved in the synthesis and/or pharmacological activity of biologically active molecules including: Potassium channel KV1.3 and IK-1 inhibitors. HIV-1 integrase inhibitors.
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密度 :1.2±0.1 g/cm³
沸点 :274.8±7.0 ℃ at 760 mmHg
熔点 :290-292 ℃(lit.)
分子式 :C13H9NO
分子量 :195.217
闪点 :158.7±3.1 ℃
精确质量 :195.068420
PSA :32.86000
LogP :2.81
蒸汽压 :0.0±0.6 mmHg at 25℃
折射率 :1.642
储存条件 :
保持容器密封,储存在阴凉,干燥的地方
稳定性 :
常温常压下稳定,避免氧化物接触
分子结构 :
1、 摩尔折射率:57.27
2、 摩尔体积(m³/mol):158.6
3、 等张比容(90.2K):417.8
4、 表面张力(dyne/cm):48.1
5、 极化率(10 ⁻²⁴cm ³):22.70
计算化学 :
1.疏水参数计算参考值(XlogP):2.5
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:0
5.互变异构体数量:2
6.拓扑分子极性表面积29.1
7.重原子数量:15
8.表面电荷:0
9.复杂度:263
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
更多 :
1. 性状:针状结晶。
2. 密度(g/mL,25℃):未确定
3. 相对蒸汽密度(g/mL,空气=1):未确定
4. 熔点(℃):290-292
5. 沸点(℃,常压):未确定
6. 沸点(℃,18mmHg):未确定
7. 折射率(n 20/D ):未确定
8. 闪点(℉):未确定
9. 比旋光度(º ):未确定
10. 自燃点或引燃温度(℃):未确定
11. 蒸气压(kPa,25℃):未确定
12. 饱和蒸气压(kPa,60℃):未确定
13. 燃烧热(KJ/mol):未确定
14. 临界温度(℃):未确定
15. 临界压力(KPa):未确定
16. 油水(辛醇/水)分配系数的对数值:未确定
17. 爆炸上限(%,V/V):未确定
18. 爆炸下限(%,V/V):未确定
19. 溶解性:微溶于乙醇、乙醚、醋酸
危险属性
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个人防护装备 : Eyeshields; Gloves; type N95 (US); type P1 (EN143) respirator filter
安全声明 (欧洲) :S22-S24/25
危险品运输编码 :NONH for all modes of transport
WGK德国 :3
RTECS号 :SG0370000
海关编码 :2933990090