635-氟-4-碘-2-甲基苯胺 | 307306-08-7

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 635-氟-4-碘-2-甲基苯胺
• 英文名称: 2-methyl-5-fluoro-4-iodoaniline
• 英文别名: 5-fluoro-4-iodo-2-methylaniline；3-fluoro-4-iodo-6-methylaniline；5-Fluoro-4-iodo-2-methylaniline
• CAS: 307306-08-7
• 化学式: C₇H₇FIN
• 分子量: 251.042
• InChiKey: SOOKBJGPYYCNEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  635-氟-4-碘-2-甲基苯胺 在 盐酸 、 18-冠醚-6 、 水 、 potassium acetate 、 铜 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 54.0h， 生成 ethyl 2-(6-fluoro-2-methyl-1H-indazol-5-yl)-2,2-difluoroacetate
  参考文献：
  名称：

  [EN] HIGHLY SELECTIVE C-MET INHIBITORS AS ANTICANCER AGENTS
  [FR] INHIBITEURS HAUTEMENT SÉLECTIFS DE C-MET UTILISÉS COMME AGENTS ANTICANCÉREUX

  摘要：

  本文披露了新型含氮、杂环、c-Met抑制剂化合物，其制备方法和配方。这些化合物可用作治疗剂，用于抑制、调节和控制c-Met激酶信号通路，并用于治疗受c-Met介导的主体细胞增殖紊乱或疾病。

  公开号：

  WO2014032498A1
• 作为产物：
  描述：

  5-氟-2-甲基苯胺 以100的产率得到635-氟-4-碘-2-甲基苯胺
  参考文献：
  名称：

  [EN] HIGHLY SELECTIVE C-MET INHIBITORS AS ANTICANCER AGENTS
  [FR] INHIBITEURS HAUTEMENT SÉLECTIFS DE C-MET UTILISÉS COMME AGENTS ANTICANCÉREUX

  摘要：

  本发明涉及一种新型含氮、杂环、c-Met抑制剂化合物，其制备方法和制剂。该化合物可用作治疗代谢c-Met激酶信号通路的抑制、调节和控制的治疗剂，可用于治疗受c-Met介导的细胞增殖性疾病的患者。

  公开号：

  WO2014032498A1

文献信息

• HIGHLY SELECTIVE C-MET INHIBITORS AS ANTICANCER AGENTS
  申请人：CROWN BIOSCIENCE INC. (TAIWAN)

  公开号：US20150218171A1

  公开（公告）日：2015-08-06

  Disclosed are novel nitrogen-containing, heterocyclic, c-Met inhibitor compounds, processes for their preparation and formulations thereof. The compounds are useful as therapeutical agents for the inhibition, regulation, and control of c-Met kinase signal pathway, and useful for treating in a subject a cell proliferative disorder or disorders mediated by c-Met.

  本发明涉及一种新颖的含氮、杂环、c-Met抑制剂化合物，其制备方法及其制剂。该化合物可用作治疗剂，用于抑制、调节和控制c-Met激酶信号通路，并用于治疗由c-Met介导的主体的细胞增殖性疾病或疾病。
• 3-Fluoro-2-mercuri-6-methylaniline Nucleotide as a High-Affinity Nucleobase-Specific Hybridization Probe
  作者：Asmo Aro-Heinilä、Tuomas Lönnberg、Pasi Virta

  DOI：10.1021/acs.bioconjchem.9b00405

  日期：2019.8.21

  A 3-fluoro-6-methylaniline nucleoside was synthesized and incorporated into an oligonucleotide, and its ability to form mercury-mediated base pairs was studied. UV melting experiments revealed increased duplex stability with thymine, guanine, and cytosine opposite to the probe and a clear nucleobase-specific binding preference (T > G > C > A). Moreover, the 3-fluoro group was utilized as a spin label that showed distinct 19F NMR resonance shifts depending on the complementary nucleobase, providing more detailed information on Hg(II)-mediated base pairing.

  研究人员合成了一种3-氟-6-甲基苯胺核苷，并将其整合到寡核苷酸中，研究了它形成汞介导碱基对的能力。紫外线熔化实验表明，与探针相反的胸腺嘧啶、鸟嘌呤和胞嘧啶的双链稳定性增强，并且具有明显的核苷酸特异性结合偏好（T>G>C>A）。此外，3-氟基团被用作自旋标签，根据互补核苷酸的不同，表现出明显的19F NMR共振位移，从而提供了有关Hg（II）介导碱基对的更详细信息。
• NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3345907A1

  公开（公告）日：2018-07-11

  To provide a novel compound having a HER2 inhibitory effect and having a cytostatic effect. It is also intended to provide a medicament useful in the prevention and/or treatment of a disease involving HER2, particularly, cancer, on the basis of the HER2 inhibitory effect. The present invention provides a compound of formula (I) wherein X, Y, Z1, Z2, Z3, Z4, W, n, R1, R2, and R3 have meanings as defined in the present specification, or a salt thereof.

  提供一种具有 HER2 抑制作用和细胞抑制作用的新型化合物。本发明还旨在提供一种基于 HER2 抑制作用、可用于预防和/或治疗涉及 HER2 的疾病（尤其是癌症）的药物。 本发明提供了式(I)化合物，其中X、Y、Z1、Z2、Z3、Z4、W、n、R1、R2和R3具有本说明书中定义的含义，或其盐。
• Syntheses of 4-[1-(2-deo×y-β-<FONT SIZE=-1>D</FONT>-ribofuranosyl)]-derivatives of 2-substituted-5-fluoroaniline: "cytosine replacement" analogs of deo×ycytidine for evaluation as anticancer and antihuman immunodeficiency virus (anti-HIV) agents
  作者：Zhi-Xian Wang、Leonard I. Wiebe、Erik De Clercq、Jan Balzarini、Edward E. Knaus

  DOI：10.1139/cjc-78-8-1081

  日期：——

  A group of 4-[1-(2-deoxy-beta-D-ribofuranosyl)]-derivatives of 5-fluoroaniline possessing a variety of aryl C-2 substituents (6a R = H, 6b R = F, 6c R = Me) were synthesized. Accordingly, a Heck-type coupling reaction of the 4-iodoaniline derivatives (13a-c) with the bis(tert-butyldimethylsilyl)glycal (11) in the presence of Pd(OAc)(2) and Ph3As, followed by removal of the tert-butyldimethylsilyl protection groups using n-Bu4N+F-, yielded the corresponding 4-(beta-D-glycero-pentofuran-3-ulos-1-yl)aniline derivatives (14a-c) having a C-3 C=O in the sugar ring. Reduction of the C-3 C=O compounds (14a-c) using NaB(OAc)(3)H afforded the target 4-[1-(2-deoxy-beta-D-ribofuranosyl)]-derivatives of the respective 2-substituted-5-fluoroaniline (6a-c). The deoxycytidine mimic, 3-fluoro-4-[1-(2-deoxy-beta-D-ribofuranosyl)]aniline (6a), in which the cytosine ring of deoxycytidine is replaced by a 4-(3-fluoroaniline) ring system, was inactive as an anticancer agent against a variety of tumor cell lines, and as an antihuman immunodeficiency virus (HIV-1, HIV-2) agent. The failure of this unnatural deoxycytidine mimic (6a) to exhibit anticancer-antiviral activity may be due to its inability to undergo phosphorylation by host cell- and virus-induced kinases.
• US9695175B2
  申请人：——

  公开号：US9695175B2

  公开（公告）日：2017-07-04