N-(4-methyl)benzoyl-N'-tertbutoxycarbonylhydrazine | 820209-69-6

• 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: N-(4-methyl)benzoyl-N'-tertbutoxycarbonylhydrazine
• 英文别名: tert-Butyl 2-(4-methylbenzoyl)hydrazine-1-carboxylate；tert-butyl N-[(4-methylbenzoyl)amino]carbamate
• CAS: 820209-69-6
• 化学式: C₁₃H₁₈N₂O₃
• mdl: MFCD24388130
• 分子量: 250.298
• InChiKey: IYWBLEISSGBHPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-methyl)benzoyl-N'-tertbutoxycarbonylhydrazine 在 盐酸 作用下， 反应 0.5h， 生成 对甲苯甲酰肼
  参考文献：
  名称：

  A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles

  摘要：

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.

  DOI：

  10.1021/jm00362a018
• 作为产物：
  描述：

  肼基甲酸叔丁酯 、 对甲基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-(4-methyl)benzoyl-N'-tertbutoxycarbonylhydrazine
  参考文献：
  名称：

  A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles

  摘要：

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.

  DOI：

  10.1021/jm00362a018

文献信息

• Direct Microwave Synthesis of<i>N</i>,<i>N</i>′-Diacylhydrazines and Boc-Protected Hydrazides by in situ Carbonylations under Air
  作者：Mats Larhed、Maria Antonia Herrero、Johan Wannberg

  DOI：10.1055/s-2004-832837

  日期：——

  Direct microwave synthesis of N,N'-diacylhydrazines and Boc-protected hydrazides by in situ carbonylations under air.

  在空气中通过原位羰基化直接微波合成 N,N'-二酰基肼和 Boc 保护的酰肼。
• PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US20150291521A1

  公开（公告）日：2015-10-15

  The present invention provides compounds of Formula (I-A), (I-B), and (I-C), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting Myc (e.g., c-Myc) activity. The present invention further provides methods of using the compounds described herein for treating Myc-mediated disorders (e.g., cancer and other proliferative diseases). The present invention also provides assays for identifying Myc inhibitors.

  本发明提供了公式(I-A)、(I-B)和(I-C)的化合物，其药学上可接受的盐以及其制药组合物。本发明的化合物可用于抑制Myc（例如c-Myc）的活性。本发明还提供了使用本文所描述的化合物治疗Myc介导的疾病（例如癌症和其他增殖性疾病）的方法。本发明还提供了用于鉴定Myc抑制剂的检测方法。
• Synthesis of Acyl Hydrazides via a Radical Chemistry of Azocarboxylic <i>tert</i>-Butyl Esters
  作者：Hong-Xia Zhang、Rui-Li Guo、Xing-Long Zhang、Meng-Yue Wang、Bao-Yin Zhao、Ya-Ru Gao、Qiong Jia、Yong-Qiang Wang

  DOI：10.1021/acs.joc.2c00139

  日期：2022.5.20

  compounds, that is, addition of free radicals generated in situ to access various acyl hydrazides, has been developed. The protocol provides a novel strategy for the synthesis of valuable acyl hydrazides. The transformation features mild reaction conditions, good tolerance of functional groups, and a broad substrate scope. In view of the importance of acyl hydrazides in functional materials and medicinal

  已开发出一种新的偶氮化合物化学，即添加原位产生的自由基以获取各种酰肼。该协议为合成有价值的酰肼提供了一种新的策略。该转化反应条件温和，官能团耐受性好，底物适用范围广。鉴于酰肼在功能材料和药物化学中的重要性，这种方法将得到广泛的应用。
• N-Acylthiadiazolines, a New Class of Liver X Receptor Agonists with Selectivity for LXRβ
  作者：Valentina Molteni、Xiaolin Li、Juliet Nabakka、Fang Liang、John Wityak、Alan Koder、Leo Vargas、Russell Romeo、Nico Mitro、Puiying A. Mak、H. Martin Seidel、Jennifer A. Haslam、Donald Chow、Tove Tuntland、Tracy A. Spalding、Ansgar Brock、Michelle Bradley、Antonio Castrillo、Peter Tontonoz、Enrique Saez

  DOI：10.1021/jm070453f

  日期：2007.8.1

  We have identified a novel liver X receptor (LXR) agonist (2) that activates the LXR beta subtype with selectivity over LXR alpha. LXR beta selectivity was confirmed using macrophages derived from LXR mutant mice. Despite its selectivity and modest potency, the compound can induce APO-AI-dependent cholesterol efflux from macrophages with full efficacy. Our results indicate that it is possible to achieve significant LXR beta selectivity in a small molecule while maintaining functional LXR activity.
• CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：US20170267630A1

  公开（公告）日：2017-09-21

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.