CAS: 952021-60-2; (R)-2-Amino-2-Cyclohexyl-N-(5-(1-Methyl-1H-Pyrazol-4-yl)-1-Oxo-2,6-Dihydro-1H-[1,2]Diazepino[4,5,6-Cd]Indol-8-yl)Acetamide
该化合物是在研制治疗剂方面,尽管分子重量,结构和溶解性等具体特征可能各不相同,但这一类别中的化合物往往具有适合针对特定生物路径的特性,通常,它们可能拥有增强与生物大型分子(如蛋白质或核酸)互动的功能组.此外,PF 00477736可能对某些受体或酶表现出一定程度的选择性,这对于最大限度地减少治疗应用中的副作用至关重要.该化合物的稳定性,生物利用率和药用植物特性也是影响其功效和安全特征的基本要素.作为研究的进展,进一步研究可能阐明其行动和潜在治疗用途的机制,有助于更广泛地了解其在药物开发中的作用.
- 英文名称(R)-2-Amino-2-Cyclohexyl-N-(5-(1-Methyl-1H-Pyrazol-4-yl)-1-Oxo-2,6-Dihydro-1H-[1,2]Diazepino[4,5,6-Cd]Indol-8-yl)Acetamide
- 中文名称(αR)-α-氨基-N-(5,6-二氢-2-(1-甲基-1H-吡唑-4-基)-6-氧代-1H-吡咯并(4,3,2-ef)(2,3)苯并二氮杂卓-8-基)环己烷乙酰胺
- IUPAC名称(R)-2-amino-2-cyclohexyl-N-(5-(1-methyl-1H-pyrazol-4-yl)-1-oxo-2,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl)acetamide
- CAS编号952021-60-2
- MFCD编号:MFCD16038847
- FDA UNII编号:XO23PGZ0SM
- 分子式:C22H25N7O2分子量:419.49
- 产品CID: 2004662
- 同类组份化合物CAS1175132-90-7 (HCl)1071848-28-6952238-93-6 (?HCl)1247874-19-6 (2HCl)952021-60-2 (free base)
- 产品分类生物化工 → 抑制剂 → 细胞周期(Cell Cycle)
- 相似结构搜索
- InChIKey: NDEXUOWTGYUVGA-LJQANCHMSA-N
- NDEXUOWTGYUVGA-LJQANCHMSA-N
- 计算化学: 氢键受体数5.0氢键供体数4.0可旋转键数4.0
物理性质
合成工艺路线路线简述
- 952238-92-5 = 952021-60-2
反应条件:1.1 Reagents: Methanesulfonic Acid Solvents: Tetrahydrofuran; Rt -> 65 °C; 18 - 24 H,65 °C; 65 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 30 Min,20 °C; 5 H,20 °C
标题:Process For Preparation Of Polymorphic Forms Of (αr)-α-Amino-N-[5,6-Dihydro-2-(1-Methyl-1H-Pyrazol-4-Yl)-6-Oxo-1H-Pyrrolo[4,3,2-Ef][2,3]Benzodiazepin-8-Yl]Cyclohexaneacetamide
参考文献:World Intellectual Property Organization
📜Tert-Butyl (R)-1-Cyclohexyl-2-(2-(1-Methyl-1H-Pyrazol-4-yl)-6-Oxo-5,6-Dihydro-1H-[1,2]Diazepino[4,5,6-Cd]Indol-8-Ylamino)-2-Oxoethylcarbamate置于碳酸氢钠体系中,用 水,乙酸乙酯 作为反应溶剂,化学反应生成 (Alphar)-Alpha-氨基-N-(5,6-二氢-2-(1-甲基-1H-吡唑-4-基)-6-氧代-1H-吡咯并(4,3,2-Ef)(2,3)苯并二氮杂卓-8-基)环己烷乙酰胺
参考文献:Wo2007/113647
标题:Wo2007/113647
海关参考信息
- 2912110000-甲醛
2912120000-乙醛
2912210000-苯甲醛
2921211000-乙二胺 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Smith HL, Willmore E, Prendergast L, Curtin NJ. ATR, CHK1 and WEE1 inhibitors cause homologous recombination repair deficiency to induce synthetic lethality with PARP inhibitors. Br J Cancer. 2024 Jul 4. doi: 10.1038/s41416-024-02745-0. Epub ahead of print. 299(7):104857. doi: 10.1016/j.jbc.2023.104857. Epub 2023 May 23.
3: Saha S, Rundle S, Kotsopoulos IC, Begbie J, Howarth R, Pappworth IY, Mukhopadhyay A, Kucukmetin A, Marchbank KJ, Curtin N. Determining the Potential of DNA Damage Response (DDR) Inhibitors in Cervical Cancer Therapy. Cancers (Basel). 2022 Sep 1;14(17):4288. doi: 10.3390/cancers14174288.
4: Singh R, Pokle AV, Ghosh P, Ganeshpurkar A, Swetha R, Singh SK, Kumar A. Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulations study for the identification of LIM kinase-1 inhibitors. J Biomol Struct Dyn. 2023 Aug-Sep;41(13):6089-6103. doi: 10.1080/07391102.2022.2101529. Epub 2022 Jul 21. 20(3):456-467. doi: 10.1158/1541-7786.MCR-21-0366.
合成参考文献
参考文献:10.1124/mol.119.115964
摘要:Lee TD, Lee OW, Brimacombe KR, Chen L, Guha R, Lusvarghi S, Tebase BG, Klumpp-Thomas C, Robey RW, Ambudkar SV, Shen M, Gottesman MM, Hall MD. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular Pharmacology. 2019 Nov;96(5):629–40. doi: 10.1124/mol.119.115964.
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