4-(9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid | 1157847-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类
• 英文名称: 4-(9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
• 英文别名: 4-[(9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoic acid
• CAS: 1157847-82-9
• 化学式: C₂₅H₃₃N₅O₄
• 分子量: 467.568
• InChiKey: WZXRZYWRMGCUFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid 生成 4-((S)-9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid 、 4-((R)-9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
  参考文献：
  名称：

  [EN] POLO-LIKE KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE DE TYPE POLO

  摘要：

  提供以下公式的化合物供激酶使用，其中变量如本文所定义。还提供包含这些化合物的药物组合物、试剂盒和制造物品；用于制备这些化合物的方法和中间体；以及使用这些化合物的方法。

  公开号：

  WO2009067547A1
• 作为产物：
  描述：

  2-chloro-9-cyclohexyl-7-ethyl-5,7-dimethyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one 、 4-氨基-3-甲氧基苯甲酸 在 盐酸 作用下， 以 异丙醇 为溶剂， 反应 20.0h， 以to give 4-(9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as white solid的产率得到4-(9-cyclohexyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
  参考文献：
  名称：

  POLO-LIKE KINASE INHIBITORS

  摘要：

  提供了以下公式的化合物，用于与激酶一起使用：其中变量的定义如下。还提供了包含这些化合物的制药组合物、工具包和制造物品；用于制造这些化合物的方法和中间体；以及使用这些化合物的方法。

  公开号：

  US20090291938A1

文献信息

• POLO-LIKE KINASE INHIBITORS
  申请人：Cao Sheldon X.

  公开号：US20090291938A1

  公开（公告）日：2009-11-26

  Compounds of the following formula are provided for use with kinases: wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  提供了以下公式的化合物，用于与激酶一起使用：其中变量的定义如下。还提供了包含这些化合物的制药组合物、工具包和制造物品；用于制造这些化合物的方法和中间体；以及使用这些化合物的方法。
• Oligonucleotide production method, and nucleoside, nucleotide, or oligonucleotide
  申请人：AJINOMOTO CO., INC.

  公开号：US10919928B2

  公开（公告）日：2021-02-16

  Oligonucleotides may be produced by a process, including (1) condensing a nucleoside, nucleotide or oligonucleotide (b), and a nucleoside, nucleotide or oligonucleotide (a), or a substituted nucleotide or oligonucleotide (α) in a non-polar solvent to give a reaction solution containing a phosphite triester product (c); (3) oxidizing or sulfurizing the phosphite triester product (c) to give a reaction solution containing an oligonucleotide (d) wherein the 5′-hydroxy group is protected; (4) deprotecting the oligonucleotide (d) to give a reaction solution containing an oligonucleotide (e) wherein the 5′-hydroxy group is not protected; and (6) adding a polar solvent to the reaction solution containing the oligonucleotide (e) and purifying the oligonucleotide (e) by solid-liquid separation, wherein said nucleoside, nucleotide or oligonucleotide (a) or said substituted nucleotide or oligonucleotide (α) is a compound represented by formula (a-i): wherein Base, Rp1, R10, m, L, Y, and Z are defined herein.

  寡核苷酸可通过以下工艺生产，包括 (1) 在非极性溶剂中缩合核苷、核苷酸或寡核苷酸(b)和核苷、核苷酸或寡核苷酸(a)或取代的核苷酸或寡核苷酸(α)，得到含有亚磷酸三酯产物(c)的反应溶液；(3) 将亚磷酸三酯产物（c）氧化或硫化，得到含有寡核苷酸（d）的反应溶液，其中 5′-羟基被保护；(4) 对寡核苷酸(d)进行脱保护，得到含有寡核苷酸(e)的反应溶液，其中 5′-羟基未被保护；(6) 向含有寡核苷酸(e)的反应溶液中加入极性溶剂，并通过固液分离纯化寡核苷酸(e)，其中所述核苷、核苷酸或寡核苷酸(a)或所述取代的核苷酸或寡核苷酸(α)是由式(a-i)表示的化合物： 其中 Base、Rp1、R10、m、L、Y 和 Z 在此定义。
• AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME
  申请人：YABUNOUCHI Nobuhiro

  公开号：US20070296331A1

  公开（公告）日：2007-12-27

  A novel aromatic amine derivative which is a diamine compound having a p-terphenyl-4,4″-diyl structure. An organic electroluminescence device which is composed of one or more organic thin film layers including at least one light emitting layer sandwiched between a cathode and an anode. Since at least one of the organic thin film layers contains the aromatic amine derivative singly or combination of two or more, the tendency of molecular crystallization is reduced and the yield in the fabrication of electroluminescence devices is enhanced. The aromatic amine derivative enables the production of electroluminescence devices having a prolonged lifetime and a high efficiency even after storing at high temperatures.
• Method of controlling cell functions
  申请人：Hinuma Shuji

  公开号：US20090232771A1

  公开（公告）日：2009-09-17

  The present invention provides methods of screening genes associated with cell regeneration, growth and differentiation and regulators for cell regeneration, growth or differentiation; regulators for cell regeneration, growth or differentiation; and so on. More specifically, the present invention provides methods of screening genes associated with cell regeneration, growth and differentiation, which comprises the step of quantitatively analyzing expression levels of multiple genes collectively in a cell having a regeneration, differentiation or growth capability to thereby identify the genes associated with the regeneration, growth or differentiation of the cell; methods of screening genes associated with cell regeneration, growth and differentiation, which comprises the step of quantitatively analyzing expression levels of multiple genes collectively in a cell having a regeneration, differentiation or growth capability to thereby identify one or more genes that show higher expression levels in the cell or are specific in expression as compared to the other cells; and, the step of contacting at least one candidate substance capable of regulating the functions of the identified genes or their gene products with the cell and comparing changes before and after the contact; and so on.
• OLIGONUCLEOTIDE PRODUCTION METHOD, AND NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE
  申请人：AJINOMOTO CO., INC.

  公开号：US20180282365A1

  公开（公告）日：2018-10-04

  Oligonucleotides may be produced by a process, including (1) condensing a nucleoside, nucleotide or oligonucleotide (a) or the like wherein a 5′-hydroxy group is not protected and a nucleoside, nucleotide or oligonucleotide (b) wherein a 5′-hydroxy group is protected in a non-polar solvent to give a reaction solution containing a phosphite triester product (c); (3) oxidizing or sulfurizing the phosphite triester product (c) to give a reaction solution containing an oligonucleotide (d) wherein the 5′-hydroxy group is protected; (4) deprotecting the oligonucleotide (d) to give a reaction solution containing an oligonucleotide (e) wherein the 5′-hydroxy group is not protected; and (6) adding a polar solvent to the reaction solution containing the oligonucleotide (e) and purifying the oligonucleotide (e) by solid-liquid separation or extraction.