DX3-213B
目录号 : GC49811
A mitochondrial complex I inhibitor
Cas No.:2749555-66-4
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >95.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
DX3-213B is an inhibitor of mitochondrial complex I, also known as NADH dehydrogenase (IC50 = 3.6 nM).1 It inhibits the proliferation of MiaPaCa-2 cells cultured in galactose- but not glucose-containing media (IC50s = 9.1 and >3,000 nM, respectively). DX3-213B (10 mg/kg) reduces tumor volume in a Panc02 murine pancreatic ductal adenocarcinoma model.
1.Xue, D., Xu, Y., Kyani, A., et al.Multiparameter optimization of oxidative phosphorylation inhibitors for the treatment of pancreatic cancerJ. Med. Chem.65(4)3404-3419(2022)
| Cas No. | 2749555-66-4 | SDF | Download SDF |
| Canonical SMILES | O=S(N1C[C@@H](CCC1)C(N2CCC(F)(CC2)F)=O)(C3=CC=C(C=C3)S(C(C)C)(=O)=O)=O | ||
| 分子式 | C20H28F2N2O5S2 | 分子量 | 478.6 |
| 溶解度 | DMF: 2 mg/ml,DMSO: 3 mg/ml,Ethanol: 2 mg/ml,PBS (pH 7.2): insol | 储存条件 | -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 2.0894 mL | 10.4471 mL | 20.8943 mL |
| 5 mM | 0.4179 mL | 2.0894 mL | 4.1789 mL |
| 10 mM | 0.2089 mL | 1.0447 mL | 2.0894 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Multiparameter Optimization of Oxidative Phosphorylation Inhibitors for the Treatment of Pancreatic Cancer
J Med Chem 2022 Feb 24;65(4):3404-3419.PMID:35167303DOI:PMC9165018
Targeting oxidative phosphorylation (OXPHOS) complexes is an emerging strategy to disrupt the metabolism of select cancer subtypes and to overcome resistance to targeted therapies. Here, we describe our lead optimization campaign on a series of benzene-1,4-disulfonamides as novel OXPHOS complex I inhibitors. This effort led to the discovery of compound 23 (DX3-213B) as one of the most potent complex I inhibitors reported to date. DX3-213B disrupts adenosine triphosphate (ATP) generation, inhibits complex I function, and results in the growth inhibition of pancreatic cancer cells in the low nanomolar range. Importantly, the oral administration of DX3-213B resulted in significant in vivo efficacy in a pancreatic cancer syngeneic model without obvious toxicity. Our data clearly demonstrate that OXPHOS inhibition can be a safe and efficacious strategy to treat pancreatic cancer.