BAY-179
目录号 : GC49901
A mitochondrial complex I inhibitor
Cas No.:2764880-87-5
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
BAY-179 is an inhibitor of mitochondrial complex I, also known as NADH dehydrogenase (IC50s = 79, 38, 27, and 47 nM for the human, mouse, rat, and dog enzymes, respectively).1 See the Structural Genomics Consortium (SGC) website for more information.
1.Mowat, J., Ehrmann, A.H.M., Christian, S., et al.Identification of the highly active, species cross-reactive complex I inhibitor BAY-179ACS Med. Chem. Lett.13(3)348-357(2022)
| Cas No. | 2764880-87-5 | SDF | Download SDF |
| Canonical SMILES | C12=NC=CC=C1NC(CN3CCC(C4=NC(C5=CC6=C(C=CC=C6)O5)=CS4)CC3)=N2 | ||
| 分子式 | C23H21N5OS | 分子量 | 415.5 |
| 溶解度 | DMF: Slightly soluble,DMSO: Slightly soluble | 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 | 2.4067 mL | 12.0337 mL | 24.0674 mL |
| 5 mM | 0.4813 mL | 2.4067 mL | 4.8135 mL |
| 10 mM | 0.2407 mL | 1.2034 mL | 2.4067 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。
Identification of the Highly Active, Species Cross-Reactive Complex I Inhibitor BAY-179
ACS Med Chem Lett 2022 Feb 18;13(3):348-357.PMID:35300083DOI:PMC8919281
Mitochondria are key regulators of energy supply and cell death. Generation of ATP within mitochondria occurs through oxidative phosphorylation (OXPHOS), a process which utilizes the four complexes (complex I-IV) of the electron transport chain and ATP synthase. Certain oncogenic mutations (e.g., LKB1 or mIDH) can further enhance the reliance of cancer cells on OXPHOS for their energetic requirements, rendering cells sensitive to complex I inhibition and highlighting the potential value of complex I as a therapeutic target. Herein, we describe the discovery of a potent, selective, and species cross-reactive complex I inhibitor. A high-throughput screen of the Bayer compound library followed by hit triaging and initial hit-to-lead activities led to a lead structure which was further optimized in a comprehensive lead optimization campaign. Focusing on balancing potency and metabolic stability, this program resulted in the identification of BAY-179, an excellent in vivo suitable tool with which to probe the biological relevance of complex I inhibition in cancer indications.