D-I03
| 中文名称 | D-I03 |
|---|---|
| 中文同义词 | 化合物 T10936;化合物D-I03;1-(2-(二乙基氨基)乙基)-3-(2-(4-乙基哌嗪-1-基)-4-甲基喹啉-6-基)硫脲;化合物D-I03,10 MM DMSO 溶液 |
| 英文名称 | D-I03 |
| 英文同义词 | D-I03 (D103);D-I03;Thiourea, N-[2-(diethylamino)ethyl]-N'-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-;1-(2-(Diethylamino)ethyl)-3-(2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl)thiourea;D-I03, 10 mM in DMSO |
| CAS号 | 688342-78-1 |
| 分子式 | C23H36N6S |
| 分子量 | 428.64 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 688342-78-1.mol |
| 结构式 |  |
D-I03 性质
| 沸点 | 582.0±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.147±0.06 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | 二甲基亚砜：≥100mg/mL（233.30mM） |
| 形态 | 固体 |
| 酸度系数(pKa) | 12.00±0.70(Predicted) |
| 颜色 | 米白色至浅黄色 |
| InChI | 1S/C23H36N6S/c1-5-27(6-2)11-10-24-23(30)25-19-8-9-21-20(17-19)18(4)16-22(26-21)29-14-12-28(7-3)13-15-29/h8-9,16-17H,5-7,10-15H2,1-4H3,(H2,24,25,30) |
| InChIKey | UXDGHRWOHOPKIL-UHFFFAOYSA-N |
| SMILES | S=C(NCCN(CC)CC)NC1=CC2=C(C=C1)N=C(N3CCN(CC)CC3)C=C2C |
| Target | Value |
|
RAD52
(Cell-free assay) | 25.8 μM(Ki) |
D-I03 (0-10 μM; on days 1 and 3; Capan-1 and UWB1.289 cells) treatment preferentially suppressed the growth of Capan-1 and UWB1.289 cells in a concentration-dependent manner.
D-I03 inhibits RAD52 foci formation induced by cisplatin in BCR-ABL1-positive BRCA1-deficient 32Dcl3 murine hematopoietic cell line that expresses GFP-RAD52. In the presence of D-I03 (2.5 μM), the fraction of cells with RAD52 foci is decreased, from 38.7% to 171%; at the same time, the fraction of Cisplatin-treated cells without foci is increased from 48.4% to 71.9%. D-I03 does not effect on RAD51 foci induced by Cisplatin. Also, D-I03 alone induce neither RAD51 foci nor RAD52 foci (in BRCA1-deficient cells) indicating low genotoxicity of D-I03.
Cell Proliferation Assay
| Cell Line: | Capan-1 (BRCA2 − ) and UWB1.289 (BRCA1 + ) cells |
| Concentration: | 0 μM, 2.5 μM, 5 μM, or 10 μM |
| Incubation Time: | On days 1 and 3 |
| Result: | Preferentially suppressed the growth of Capan-1 and UWB1.289 cells. |
D-I03 (50 mg/kg/day; intraperitoneal injection; daily; for 7 days;
nu/nu
mice) treatment reduces BRCA1-deficient MDA-MB-436 tumor growth. Talazoparib puls D-I03 does not affect the growth of BRCA1-proficient tumors and does not exert any significant toxicity against normal tissues and organs.
Pharmacokinetic and toxicity studies indicates that maximal tolerated dose of D-I03 is ≥50 mg/kg, and t
1/2
is 23.4 hours, resulting in >1 μM maximal concentration in peripheral blood.
| Animal Model: | Nu/nu mice injected with BRCA1-deficient MDA-MB-436 cells |
| Dosage: | 50 mg/kg/day |
| Administration: | Intraperitoneal injection; daily; for 7 days |
| Result: | Reduced BRCA1-deficient MDA-MB-436 tumor growth. |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2026/03/03 | S0054 | D-I03 D-I03 | 688342-78-1 | 5mg | 2470元 |
| 2026/03/03 | S0054 | D-I03 | 688342-78-1 | 10mM (1mL in DMSO) | 2694.51元 |