计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
概述
WEE1-IN-3 is a potent Wee1 kinase inhibitor with an IC 50 of <10 nM. WEE1-IN-3 has anticancer activities
In Vitro
WEE1-IN-3 (example 1) inhibits cancer cell growth with IC 50 values of 100-1000 nM and <100 nM for SW480 cells and H23 cells, respectively.\nWEE1 kinase plays a role in the G2-M cell-cycle checkpoint arrest for ΌΝΑ repair before mitotic entry. Normal cells repair damaged DNA during GI arrest. Cancer cells often have a deficient G i-S checkpoint and depend on a functional G2-M checkpoint for DNA repair. WEE1 is overexpressed in various cancer types. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: <10 nM (Wee1 kinase)
规格
规格或纯度
≥98%
英文名称
WEE1-IN-3
生化机理
WEE1-IN-3 是一种强效的 Wee1 激酶抑制剂，其 IC 50 小于 10 nM。WEE1-IN-3 具有抗癌活性。
储存条件
-20°C储存
运输条件
超低温运输
纯度
≥98%
名称和识别符
分子类型
未知
IUPAC Name
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
INCHI
1S/C28H31N7O2/c1-5-13-34-25(36)20-15-29-26(32-24(20)35(34)23-8-6-7-22(31-23)27(2,3)37)30-19-9-10-21-18(14-19)16-33(4)17-28(21)11-12-28/h5-10,14-15,37H,1,11-13,16-17H2,2-4H3,(H,29,30,32)
InChi Key
JSZFIXAMFNNRKS-UHFFFAOYSA-N
Smiles
CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC5=C(C=C4)C6(CC6)CN(C5)C)O
Isomeric SMILES
CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC5=C(C=C4)C6(CC6)CN(C5)C)O
PubChem CID
分子量
497.59
高级数据
三维结构
交互式化学结构模型
关联靶点（人）
NCI-H23
(49055 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
DMSO : 250 mg/mL (502.42 mM; Need ultrasonic)
质检证书(CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
溶液计算器
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危险品化学品经营许可证（带存储）