1-(3-chloro-4-isopropoxyphenyl)ethanone | 944890-18-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-chloro-4-isopropoxyphenyl)ethanone
• 英文别名: 1-[3-Chloro-4-(propan-2-yloxy)phenyl]ethan-1-one；1-(3-chloro-4-propan-2-yloxyphenyl)ethanone
• CAS: 944890-18-0
• 化学式: C₁₁H₁₃ClO₂
• mdl: MFCD09754926
• 分子量: 212.676
• InChiKey: KTKDBLMLMCAZLT-UHFFFAOYSA-N

物化性质

• 沸点：
  317.0±27.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-chloro-4-isopropoxyphenyl)ethanone 在 二甲酰氨基钠 作用下， 生成 2-Amino-1-(3-chloro-4-propan-2-yloxyphenyl)ethanone
  参考文献：
  名称：

  Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P3-sparing S1P1 agonists

  摘要：

  We have previously disclosed 1,2,4-oxadiazole derivative 3 as a potent S1P(3)-sparing S1P(1) agonist. Although compound 3 exhibits potent and manageable immunosuppressive efficacy in various in vivo models, recent studies have revealed that its 1,2,4-oxadiazole ring is subjected to enterobacterial decomposition. As provisions for unpredictable issues, a series of alternative compounds were synthesized on the basis of compound 3. Extensive SAR studies led to the finding of 1,3-thiazole 24c with the EC50 value of 3.4 nM for human S1P(1), and over 5800-fold selectivity against S1P(3). In rat on host versus graft reaction (HvGR), the ID50 value of 24c was determined at 0.07 mg/kg. The pharmacokinetics in rat and monkey is also reported. Compared to compound 3, 24c showed excellent stability against enterobacteria. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.067
• 作为产物：
  描述：

  3’-氯-4’-羟基苯乙酮 、 异丙醇 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 以83%的产率得到1-(3-chloro-4-isopropoxyphenyl)ethanone
  参考文献：
  名称：

  [EN] NOVEL THERAPEUTIC COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS THÉRAPEUTIQUES

  摘要：

  公开号：

  WO2009011850A3

文献信息

• TETRAZOLINONE COMPOUND AND APPLICATION OF SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160081340A1

  公开（公告）日：2016-03-24

  A tetrazolinone compound represented by formula (1): wherein R 1 represents a C1-C3 alkyl group optionally having a fluorine atom, etc.; R 2 and R 4 represents a hydrogen atom, etc.; R 3 represents a hydrogen atom, etc.; Z 1 represents a C1-C3 alkyl group optionally having a halogen atom, etc.; Z 2 represents a C1-C3 alkoxy group optionally having a halogen atom, a C3-C4 alkynyloxy group, etc.; Z 3 represents a hydrogen atom, a C1-C3 alkyl group optionally having a halogen atom, etc.; and X represents an oxygen atom, etc., has excellent control activity against pests.

  一种由化学式（1）表示的四唑酮化合物：其中R1代表一个C1-C3烷基基团，可选地含有氟原子等；R2和R4代表氢原子等；R3代表氢原子等；Z1代表一个C1-C3烷基基团，可选地含有卤原子等；Z2代表一个C1-C3烷氧基基团，可选地含有卤原子、C3-C4炔氧基团等；Z3代表氢原子、一个C1-C3烷基基团，可选地含有卤原子等；X代表氧原子等，对害虫有出色的控制活性。
• ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Celgene Corporation

  公开号：US20200163948A1

  公开（公告）日：2020-05-28

  Compounds of formula I for treating, preventing or managing cancer are disclosed. Also disclosed are methods of treating, preventing or managing cancer, such as leukemia, comprising administering the compounds. In certain embodiments, the method of treatment comprise administering a compound provided herein in combination with a second agent. Pharmaceutical compositions and single unit dosage forms comprising the compounds are also disclosed.

  本文揭示了化学式I的化合物，用于治疗、预防或管理癌症。还揭示了治疗、预防或管理癌症的方法，例如治疗白血病，包括给予这些化合物。在某些实施例中，治疗方法包括与第二药物联合给药。此外，还揭示了包含这些化合物的药物组合物和单剂量形式。
• [EN] ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS ANTIPROLIFÉRATIFS ET MÉTHODES D'UTILISATION DESDITS COMPOSÉS
  申请人：CELGENE CORP

  公开号：WO2016007848A1

  公开（公告）日：2016-01-14

  Compounds of formula (I) for treating, preventing or managing cancer are disclosed. Also disclosed are methods of treating, preventing or managing cancer, such as leukemia, comprising administering the compounds. In certain embodiments, the method of treatment comprise administering a compound provided herein in combination with a second agent. Pharmaceutical compositions and single unit dosage forms comprising the compounds are also disclosed. In Formula (I) R1 is optionally substituted cycloalkyi, aryl, heteroaryl or heterocyclyl; and R2 and R3 are each halo.

  本发明揭示了化学式(I)的化合物，用于治疗、预防或管理癌症。同时，还揭示了治疗、预防或管理癌症的方法，例如白血病，包括给予该化合物。 在某些实施例中，治疗方法包括联合给予本文提供的化合物和第二药物。还揭示了包含该化合物的制药组合物和单剂量形式。 在化学式(I)中，R1是可选的取代环烷基，芳基，杂芳基或杂环烷基；R2和R3均为卤素。
• Novel therapeutic compounds
  申请人：Breinlinger Eric C.

  公开号：US20090069288A1

  公开（公告）日：2009-03-12

  Disclosed herein are novel compounds of Formula (I), wherein the variables are defined as herein. The compounds of Formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases as well as proliferative disorders such as cancer.

  本文公开了公式（I）的新化合物，其中变量如本文所定义。公式（I）的化合物可用作激酶抑制剂，因此可用于治疗某些疾病和病症，特别是炎症性疾病和疾病以及增生性疾病，如癌症。
• TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150203511A1

  公开（公告）日：2015-07-23

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1) [wherein Q represents a group selected from the following group: Q1, Q2, Q3 or Q4: R 1 , R 2 , R 3 and R 11 represent independently of each other a halogen atom, an CI-C6 alkyl group, etc.; R 4 and R 5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R 6 represents a halogen atom, an C1-C4 alkyl group, etc.; R 7 , R 8 and R 9 represent independently of each other a hydrogen atom, a halogen atom, etc.; and R 10 represents an C1-C3 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫功效的化合物。公式（1）的四唑酮化合物[其中Q代表以下组中选择的一组：Q1、Q2、Q3或Q4：R1、R2、R3和R11分别独立地表示卤素原子，CI-C6烷基等；R4和R5分别独立地表示氢原子，卤素原子或C1-C3烷基等；R6表示卤素原子，C1-C4烷基等；R7、R8和R9分别独立地表示氢原子，卤素原子等；R10表示C1-C3烷基等]对害虫表现出优异的控制功效。