| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T421923-1ml |
1ml |
现货  |
|
| 英文别名 | (E)-N-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-3-(4-(dimethylamino)but-2-enamido)benzamide | BS-15498 | AC-31601 | N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide | HY-1 |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | THZ2 |
| 生化机理 | THZ2是一种THZ1类似物，是CDK7的选择性抑制剂，IC50为13.9 nM。THZ2 能有效抑制 TNBC 细胞的克隆性生长，其 IC50 约为 10 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
THZ2 是一种THZ1的类似物，是 CDK7 的选择性抑制剂，其IC50值为13.9 nM。THZ2 可有效抑制TNBC细胞的克隆形成生长，其IC50值约为10 nM。 Information THZ2, a THZ1 analog, is a selective inhibitor ofCDK7with IC50 of 13.9 nM. THZ2 efficiently suppresses the clonogenic growth of TNBC cells with IC50 of ~10 nM. Targets CDK7 (Cell-free assay) 13.9 nM In vitro THZ2 selectively targets CDK7 and potently inhibits the growth of triple-negative but not ER/PR+ breast cancer cells. THZ2 at low nanomolar doses also efficiently suppresses the clonogenic growth of TNBC cells. In vivo THZ2 is well tolerated in nude mice. The growth rate of tumors in mice treated with THZ2 is markedly reduced as compared to that of control tumors, demonstrating an anti-tumor activity of THZ2. Both acute and chronic exposure to THZ2 significantly reduces CTD phosphorylation of RNAPII at all three phosphorylation sites (S2, S5, and S7), indicating that CDK7 is efficiently targeted in the tumor cells. Compared to vehicle-treated tumors, tumor tissues isolated from mice treated with THZ2 has reduced proliferation and increased apoptosis. THZ2 is able to efficiently reduce tumor cell proliferation and induce cell death in vivo. Cell Research(from reference) Cell lines：BT549, CAMA1, HCC1187, HCC1569, HCC38, MDAMB-231, MDA-MB-415, MDA-MB-468, T47D, ZR-75-1, HEK293T cells Concentrations：200 nM, 500 nM Incubation Time：24 h, 48 h |
| IC50 | CDK7, IC50: 13.9 nM |
|---|---|
| ALogP | 5.619 |
| HBD Count | 4 |
| Rotatable Bond | 9 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide |
| INCHI | 1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+ |
| InChi Key | FONRCZUZCHXWBD-VGOFMYFVSA-N |
| Smiles | CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl |
| Isomeric SMILES | CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl |
| PubChem CID | 78357763 |
| 分子量 | 566.05 |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 176.662838971822 |
| Water(mg / mL) Max Solubility | ˂1 |
| 分子量 | 566.100 g/mol |
| XLogP3 | 4.800 |
| 氢键供体数Hydrogen Bond Donor Count | 4 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 565.199 Da |
| 单同位素质量Monoisotopic Mass | 565.199 Da |
| 拓扑极表面积Topological Polar Surface Area | 115.000 Ų |
| 重原子数Heavy Atom Count | 41 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 904.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 1 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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