| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| E420707-1ml |
1ml |
现货  |
|
| 英文别名 | 1140964-99-3 | E7449 | E-7449 | Stenoparib | Parp inhibitor 2x-121 | UNII-9X5A2QIA7C | 9X5A2QIA7C | 3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro- | CID 25267262 | 2X-121 | 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazat |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | E7449 |
| 生化机理 | E7449 是一种口服生物活性高、脑穿透性强的小分子 PARP1/2 双重抑制剂，同时还能抑制 PARP5a/5b（又称 tanyrase1 和 2 (TNKS1/2)），后者是典型 Wnt/β-catenin 信号转导的重要调节剂。它对 PARP1 和 2 的 IC50 值分别为 1.0 和 1.2 nM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | Tankyrase 1/2抑制剂 |
| 产品介绍 |
Information E7449 is an orally bioavailable, brain penetrable, small molecule dual inhibitor ofPARP1/2and also inhibits PARP5a/5b, otherwise known as tankyrase1 and 2 (TNKS1/2), important regulators of canonical Wnt/β-catenin signaling. It has IC50 values of 1.0 and 1.2 nM for PARP1 and 2, respectively. Targets PARP1 ; PARP2 1 nM; 1.2 nM In vitro E7449 inhibits PARP enzymatic activity and additionally traps PARP1 onto damaged DNA; a mechanism previously shown to augment cytotoxicity. E7449 inhibits Wnt/β-catenin signaling in colon cancer cell lines, likely through TNKS inhibition. E7449 stabilizes axin and TNKS proteins resulting in β-catenin de-stabilization and significantly alters expression of Wnt target genes. E7449 inhibits TNKS1 and 2 (PARP5a and 5b) with IC50 values of 50-100 nmol/L. Significant inhibitory activity is not observed for PARP3 or PARPs 6-16 (PARP9 and 13 lack activity and PARP4 had minimal signal). In vivo Chemotherapy is potentiated by E7449 and single agent has significant antitumor activity in BRCA-deficient xenografts. E7449 lacks single agent antitumor activity in vivo. E7449 antitumor activity is increased through combination with MEK inhibition. Treatment with E7449 at 30 or 100 mg/kg in xenografts is well-tolerated without any significant body weight loss or deaths. Treatment with E7449 at 100 mg/kg resulted in significant PARP inhibition that is sustained for at least 12 hours and recovered to basal levels within 24 h. Cell Research(from reference) Cell lines：Human breast cancer cell lines, HCC1143, HCC70, HCC1806, MDA-MB-436, T47D, MDA-MB-157, MDA-MB-231, MDA-MB-468, MDA-MB-453, BT-20 and Hs578T Incubation Time：8 days |
| ALogP | 1.1 |
|---|
| 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 | 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one |
| INCHI | 1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21) |
| InChi Key | JLFSBHQQXIAQEC-UHFFFAOYSA-N |
| Smiles | C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3 |
| Isomeric SMILES | C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3 |
| 分子量 | 317.34 |
| Reaxy-Rn | 37343431 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37343431&ln= |
| 分子量 | 317.300 g/mol |
|---|---|
| XLogP3 | 1.100 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 317.128 Da |
| 单同位素质量Monoisotopic Mass | 317.128 Da |
| 拓扑极表面积Topological Polar Surface Area | 69.100 Ų |
| 重原子数Heavy Atom Count | 24 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 586.000 |
| 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 | 0 |
| 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 | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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