3-amino-4-methylbenzoyl chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-amino-4-methylbenzoyl chloride
• 英文别名: 3-Amino-4-methylbenzoyl chloride
• 化学式: C₈H₈ClNO
• 分子量: 169.611
• InChiKey: KDJBKFNZCRDITN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-amino-4-methylbenzoyl chloride 在 盐酸 、 tin(ll) chloride 作用下， 以 甲醇 、 氯仿 、 水 、 正丁醇 为溶剂， 反应 29.0h， 生成 尼罗替尼
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF NILOTINIB

  摘要：

  本发明涉及一种用于制备化合物的方法的公式(I)：或其药用可接受盐，该方法包括将公式(IV)的化合物：或其药用可接受盐转化为公式(I)的化合物或其药用可接受盐。

  公开号：

  US20130210847A1
• 作为产物：
  描述：

  3-氨基-4-甲基苯甲酸 在 氯化亚砜 作用下， 反应 3.0h， 生成 3-amino-4-methylbenzoyl chloride
  参考文献：
  名称：

  某些含N-吡啶基吡唑的新型酰胺的合成，结构和杀虫活性

  摘要：

  设计并合成了一系列新颖的含有N-吡啶基吡唑的酰胺。通过IR，1 H NMR，13 C NMR，MS和元素分析对所有化合物进行表征和确认。通过X射线衍射确定9d的单晶结构。生物测定测试表明，标题化合物对Mythimna separata Walker，小菜蛾和Laphygma exiguaHübner具有良好的杀虫活性。

  DOI：

  10.1007/s13738-012-0176-2

文献信息

• [EN] SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA<br/>[FR] INHIBITEURS DE SOX11 POUR TRAITER UN LYMPHOME À CELLULES DU MANTEAU
  申请人：ICAHN SCHOOL MED MOUNT SINAI

  公开号：WO2021257544A1

  公开（公告）日：2021-12-23

  Disclosed are compounds that are chemical inhibitors of SOX11. The compounds disclosed are useful in treatment of various cancers.

  公开的是一些化合物，它们是SOX11的化学抑制剂。所公开的化合物在治疗多种癌症方面是有用的。
• Solid phase combinatorial synthesis of benzothiazoles and evaluation of topoisomerase II inhibitory activity
  作者：Suk-June Choi、Hyen Joo Park、Sang Kook Lee、Sang Woong Kim、Gyoonhee Han、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2005.09.051

  日期：2006.2

  To investigate one possible mechanism of action of the cytotoxic activity of benzothiazoles, we synthesized 2-(substituted-phenyl)benzothiazoles and evaluated their ability to inhibit topoisomerase 11 activities. Solid phase combinatorial method using trityl resin was employed and benzothiazole derivatives with Various substitution on 2'-, 3'-, or 4'-position of phenyl group were obtained in ca. 30 mg scale (7-96% yield). Most of the compounds synthesized exhibited topoisomerase 11 inhibitory activity at 100 mu M. 2-(3-Amino-4-methylphenyl)benzothiazole showed high activity (IC50 = 71.7 mu M), comparable to etoposide (IC50 = 78.4 mu M). (c) 2005 Elsevier Ltd. All rights reserved.
• Process for the preparation of nilotinib hydrochloride
  申请人：Natco Pharma Limited

  公开号：EP2626355B1

  公开（公告）日：2016-02-03
• Cell death triggered by synthetic flavonoids in human leukemia cells is amplified by the inhibition of extracellular signal-regulated kinase signaling
  作者：Sara Rubio、Francisco León、José Quintana、Stephen Cutler、Francisco Estévez

  DOI：10.1016/j.ejmech.2012.07.028

  日期：2012.9

  A new class of methyl esters of flavonoids, with different substituents on the B ring were synthesized and evaluated for their antiproliferative activity against the human leukemia cell line HL-60. The presence of either a methyl group (1f) or a chlorine atom (1o) at position 2' of the B ring played an important role in affecting antiproliferative activity. The cytotoxic effects of these compounds were accompanied by the concentration- and time-dependent appearance of DNA- and nuclear-fragmentation, increase in the percentage of sub-G(1) cells, and processing of multiple caspases and poly(ADP-ribose)polymerase cleavage. Pretreatment of cells with the specific mitogen-activated extracellular kinases (MEK) 1/2 inhibitor PD98059, together with if and 1o, resulted in an important enhancement of cell death, which might have clinical implications for the use of both compounds in combination with MEK 1/2 inhibitors as potential therapeutic agents. (C) 2012 Elsevier Masson SAS. All rights reserved.
• US9061028B2
  申请人：——

  公开号：US9061028B2

  公开（公告）日：2015-06-23