phenyl (4-isopropoxyphenyl)carbamate | 450390-76-8

• 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: phenyl (4-isopropoxyphenyl)carbamate
• 英文别名: Phenyl 4-isopropoxyphenylcarbamate；phenyl N-(4-propan-2-yloxyphenyl)carbamate
• CAS: 450390-76-8
• 化学式: C₁₆H₁₇NO₃
• 分子量: 271.316
• InChiKey: VNMKDLNDIKTDDC-UHFFFAOYSA-N

物化性质

• 沸点：
  377.4±34.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  phenyl (4-isopropoxyphenyl)carbamate 、 4-(piperazin-1-yl)-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 N-(4-acetylphenyl)-4-(2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)piperazine-1-carboxamide
  参考文献：
  名称：

  Discovery of 4-piperazinyl-2-aminopyrimidine derivatives as dual inhibitors of JAK2 and FLT3

  摘要：

  Hybridization strategy is an effective strategy to obtain multi-target inhibitors in drug design. In this study, we assembled the pharmacophores of momelotinib and tandutinib to get a series of 4-piperazinyl-2-aminopyrimidine derivatives. All compounds were tested for the inhibition of JAK2 and FLT3 enzymes, of which, compounds with potent enzyme activities were assayed for antiproliferative activities against three cancer cell lines (HEL, MV4-11, and HL60). The structure-activity relationship studies were conducted through variations in two regions, the "A" phenyl ring and "B" phenyl ring. Compound 14j showed the most balanced in vitro inhibitory activity against JAK2 and FLT3 (JAK2 IC50 = 27 nM, FLT3 IC50 = 30 nM), and it also showed potent inhibition against the above tested cell lines. In the cellular context, 14j strongly induced apoptosis by arresting cell cycle in the G(1)/S phase, and was selected as a promising JAK2/FLT3 dual inhibitor. (C) 2019 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2019.111590
• 作为产物：
  描述：

  对异丙氧基苯胺 、 氯甲酸苯酯 在 三乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 5.93h， 以80%的产率得到phenyl (4-isopropoxyphenyl)carbamate
  参考文献：
  名称：

  LACTATE SALT OF 4-[6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCER AND OTHER DISEASES OR DISORDERS

  摘要：

  本发明提供了一个公式(I)的化合物，或其晶体形式，或其药物组合物，或其口服药物剂量形式；制备公式(I)的化合物，或其晶体形式，或其药物组合物，或其口服药物剂量形式的合成或制造过程；以及使用该化合物，或其晶体形式，或其药物组合物，或其口服药物剂量形式，用于治疗患有或受到细胞存活、增殖和迁移相关疾病、障碍或病况的患者，包括心血管疾病（如动脉硬化和血管再狭窄）、癌症（如AML和恶性胶质瘤）、肾小球硬化、纤维化疾病和炎症。

  公开号：

  US20150133460A1

文献信息

• SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE
  申请人：Nagase Tsuyoshi

  公开号：US20100249147A1

  公开（公告）日：2010-09-30

  [Problem] To provide a compound that is useful as an agent in the prevention and treatment of circulatory system, nervous system, metabolic, reproductive system, and gastrointestinal diseases. [Means for Resolution] A compound or a pharmaceutically acceptable salt thereof represented by the following Formula (I): [wherein, Z represents formula (II-1), (II-2), or (II-3), wherein m and n are 0, 1, or 2, Y represents CR 3 or N, R 1 represents a C 1-6 alkyl, C 3-8 cycloalkyl, etc., R 2 represents phenyl or a heteroaryl, etc., R 3 and R 4 each independently represent a hydrogen atom, a C 1-6 alkyl, etc., M 1 , M 2 , M 3 , and M 4 each independently represent a hydrogen atom, a C 1-6 alkyl, etc.]

  提供一种化合物，可用作预防和治疗循环系统、神经系统、代谢系统、生殖系统和消化系统疾病的药剂。解决方法为以下式（I）所代表的化合物或其药用盐： [其中，Z代表式（II-1）、（II-2）或（II-3），其中m和n为0、1或2，Y代表CR3或N，R1代表C1-6烷基、C3-8环烷基等，R2代表苯基或杂环烷基等，R3和R4各自独立地代表氢原子、C1-6烷基等，M1、M2、M3和M4各自独立地代表氢原子、C1-6烷基等。]
• Ligand-based optimization to identify novel 2-aminobenzo[d]thiazole derivatives as potent sEH inhibitors with anti-inflammatory effects
  作者：Yufei Han、Desheng Huang、Sicong Xu、Lingling Li、Ye Tian、Shuo Li、Cong Chen、Yingxiu Li、Yanping Sun、Yunlei Hou、Yongjun Sun、Mingze Qin、Ping Gong、Zibin Gao、Yanfang Zhao

  DOI：10.1016/j.ejmech.2020.113028

  日期：2021.2
• [EN] LACTATE SALT OF 4-(6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCER AND OTHER DISEASES OR DISORDERS<br/>[FR] SEL DE LACTATE DU (4-ISOPROPOXYPHÉNYL)-AMIDE DE L'ACIDE 4-(6-MÉTHOXY-7-(3-PIPÉRIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPÉRAZINE-1-CARBOXYLIQUE ET LES COMPOSITIONS PHARMACEUTIQUES L'INCLUANT DANS LE TRAITEMENT DU CANCER ET D'AUTRES PATHOLOGIES OU TROUBLES
  申请人：MILLENNIUM PHARM INC

  公开号：WO2010059239A3

  公开（公告）日：2010-08-05
• Discovery of 4-piperazinyl-2-aminopyrimidine derivatives as dual inhibitors of JAK2 and FLT3
  作者：Yingxiu Li、Tianyu Ye、Le Xu、Yuhong Dong、Yong Luo、Chu Wang、Yufei Han、Ke Chen、Mingze Qin、Yajing Liu、Yanfang Zhao

  DOI：10.1016/j.ejmech.2019.111590

  日期：2019.11

  Hybridization strategy is an effective strategy to obtain multi-target inhibitors in drug design. In this study, we assembled the pharmacophores of momelotinib and tandutinib to get a series of 4-piperazinyl-2-aminopyrimidine derivatives. All compounds were tested for the inhibition of JAK2 and FLT3 enzymes, of which, compounds with potent enzyme activities were assayed for antiproliferative activities against three cancer cell lines (HEL, MV4-11, and HL60). The structure-activity relationship studies were conducted through variations in two regions, the "A" phenyl ring and "B" phenyl ring. Compound 14j showed the most balanced in vitro inhibitory activity against JAK2 and FLT3 (JAK2 IC50 = 27 nM, FLT3 IC50 = 30 nM), and it also showed potent inhibition against the above tested cell lines. In the cellular context, 14j strongly induced apoptosis by arresting cell cycle in the G(1)/S phase, and was selected as a promising JAK2/FLT3 dual inhibitor. (C) 2019 Elsevier Masson SAS. All rights reserved.
• LACTATE SALT OF 4-[6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCER AND OTHER DISEASES OR DISORDERS
  申请人：Millennium Phamaceuticals, Inc.

  公开号：US20150133460A1

  公开（公告）日：2015-05-14

  This invention provides a compound of formula (I): or a crystalline form thereof, or a pharmaceutical composition thereof, or an oral pharmaceutical dosage form thereof; processes for the synthesis or manufacture of the compound of formula (I), or a crystalline form thereof, or a pharmaceutical composition thereof, or an oral pharmaceutical dosage form thereof; and the use of said compound, or a crystalline form thereof, or a pharmaceutical composition thereof, or an oral pharmaceutical dosage form thereof, for the treatment of patients suffering from or subject to diseases, disorders or conditions involving cell survival, proliferation, and migration, including cardiovascular disease (e.g., arteriosclerosis and vascular reobstruction), cancer, (e.g., AML and malignant glioma) glomerulosclerosis, fibrotic disease and inflammation.

  本发明提供了一个公式(I)的化合物，或其晶体形式，或其药物组合物，或其口服药物剂量形式；制备公式(I)的化合物，或其晶体形式，或其药物组合物，或其口服药物剂量形式的合成或制造过程；以及使用该化合物，或其晶体形式，或其药物组合物，或其口服药物剂量形式，用于治疗患有或受到细胞存活、增殖和迁移相关疾病、障碍或病况的患者，包括心血管疾病（如动脉硬化和血管再狭窄）、癌症（如AML和恶性胶质瘤）、肾小球硬化、纤维化疾病和炎症。