(3-methoxy-4-nitro)phenylacetyl chloride | 306284-03-7

• 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-methoxy-4-nitro)phenylacetyl chloride
• 英文别名: 2-(3-Methoxy-4-nitrophenyl)acetyl chloride
• CAS: 306284-03-7
• 化学式: C₉H₈ClNO₄
• 分子量: 229.62
• InChiKey: LWXLRQSQKAVFHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-methoxy-4-nitro)phenylacetyl chloride 在 Raney Nickel 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-(4-amino-3-methoxyphenyl)-1-(pyrrolidin-1-yl)ethanone
  参考文献：
  名称：

  [EN] BICYCLIC INHIBITORS OF ALK
  [FR] INHIBITEURS BICYCLIQUES DE L'ALK

  摘要：

  本发明涉及公式（1）的化合物或药用可接受的盐，其中R1、X、Y、Z、A、B、G1和n在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制蛋白激酶如ALK并治疗癌症等疾病的方法。

  公开号：

  WO2012097682A1
• 作为产物：
  描述：

  2-(3-甲氧基-4-硝基苯基)乙酸 在 氯化亚砜 作用下， 反应 3.0h， 生成 (3-methoxy-4-nitro)phenylacetyl chloride
  参考文献：
  名称：

  [EN] BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES
  [FR] INHIBITEURS DE KINASES À BASE DE CARBOXAMIDES BICYCLIQUES

  摘要：

  提供了式（I）的化合物或药用可接受的盐，其中X1~X5，R1~R3，A，B，Z和n在描述中有定义。还提供了含有这些化合物的组合物，以及用于抑制激酶如ALK的用途，以及用于治疗癌症的用途。

  公开号：

  WO2012097684A1

文献信息

• [EN] BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES<br/>[FR] INHIBITEURS DE KINASES À BASE DE CARBOXAMIDES BICYCLIQUES
  申请人：ABBOTT LAB

  公开号：WO2012097684A1

  公开（公告）日：2012-07-26

  Compounds of formula (I) or pharmaceutical acceptable salts are provided, wherein X1~X5, R1~R3, A, B, Z and n are defined in the description. And compositions containing said compounds, and the uses for inhibitors of kinases such as ALK, and the uses for treating cancer thereof are provided.

  提供了式（I）的化合物或药用可接受的盐，其中X1~X5，R1~R3，A，B，Z和n在描述中有定义。还提供了含有这些化合物的组合物，以及用于抑制激酶如ALK的用途，以及用于治疗癌症的用途。
• Substituted ureas
  申请人：——

  公开号：US20020082255A1

  公开（公告）日：2002-06-27

  The invention is directed to physiologically active compounds of general formula (I): 1 wherein R 1 is lower alkyl, R 2 is aryl, arylalkyl, heteroaryl or heteroarylalkyl, or R 1 and R 2 together with the nitrogen atom to which they are attached form a cyclic amine, Ar 1 is aryldiyl or heteroaryldiyl, Ar 2 is optionally substituted phenylene or heteroaryldiyl, L 1 is an a —R 5 —R 6 — linkage where R 5 is alkylene, alkenylene or alkynylene and R 6 is a direct bond, cycloalkylene, heterocycloalkylene, arylene, heteroaryldiyl, —C(═Z 1 )—NR 4 —, —NR 4 —C(═Z 1 )—, —Z 1 —, —C(═O)—, —C(═NOR 4 )—, —NR 4 —, —NR 4 —C(═Z 1 )—NR 4 —, —SO 2 —NR 4 —, —NR 4 —SO 2 —, —O—C(═O)—, —C(═O)—O—, —NR 4 —C(═O)—O— or —O—C(═O)—NR 4 —, L 2 is a direct bond, an optionally substituted alkylene, alkenylene, alkynylene, cycloalkenylene, cycloalkylene, heteroaryldiyl, heterocycloalkylene or aryldiyl linkage, a —[C(═O)—N(R 9 )—C(R 4 )(R 10 )] p — linkage, a —Z 3 —R 11 — linkage, a —C(═O)—CH 2 —C(═O)— linkage or a —R 11 —Z 3 —R 11 — linkage, and Y is carboxy or an acid bioisostere; and the corresponding N-oxides, and their prodrugs; and pharmaceutically acceptable salts and solvates (e.g. hydrates) of such compounds and their N-oxides and prodrugs. Such compounds have valuable pharmaceutical properties, in particular the ability to regulate the interaction of VCAM-1 and fibronectin with the integrin VLA-4 (&agr;4&bgr;1).

  该发明涉及通式（I）的生理活性化合物：其中R1是低级烷基，R2是芳基，芳基烷基，杂芳基或杂芳基烷基，或R1和R2与它们附着的氮原子一起形成环状胺，Ar1是芳基二基或杂芳基二基，Ar2是可选取代苯撑或杂芳基二基，L1是a -R5-R6-连接，其中R5是烷基，烯基或炔基，R6是直接键，环状烷基，杂环烷基，芳基，杂芳基二基，-C(═Z1)-NR4-，-NR4-C(═Z1)-，-Z1-，-C(═O)-，-C(═NOR4)-，-NR4-，-NR4-C(═Z1)-NR4-，-SO2-NR4-，-NR4-SO2-，-O-C(═O)-，-C(═O)-O-，-NR4-C(═O)-O-或-O-C(═O)-NR4-，L2是直接键，可选取代的烷基，烯基，炔基，环状烯基，环状烷基，杂芳基二基，杂环烷基或芳基二基连接，-[C(═O)-N(R9)-C(R4)(R10)]p-连接，-Z3-R11-连接，-C(═O)-CH2-C(═O)-连接或-R11-Z3-R11-连接，Y是羧基或酸生物同位素；以及相应的N-氧化物和它们的前药；以及这些化合物及其N-氧化物和前药的药学上可接受的盐和溶剂（例如水合物）。这些化合物具有有价值的药物特性，特别是调节VCAM-1和纤维连接蛋白与整合素VLA-4（α4β1）相互作用的能力。
• UREAS AND THEIR USE AS CELL ADHESION MODULATORS
  申请人：Aventis Pharma Limited

  公开号：EP1177186B1

  公开（公告）日：2004-03-31
• US6620832B2
  申请人：——

  公开号：US6620832B2

  公开（公告）日：2003-09-16
• [EN] UREAS AS CELL ADHESION MODULATORS<br/>[FR] UREES EN TANT QUE MODULATEURS DE L'ADHESION CELLULAIRE
  申请人：AVENTIS PHARMA LTD

  公开号：WO2000068223A1

  公开（公告）日：2000-11-16

  The invention is directed to physiologically active compounds of general formula (I): wherein R1 is lower alkyl, R2 is aryl, arylalkyl, heteroaryl or heteroarylalkyl, or R?1 and R2¿ together with the nitrogen atom to which they are attached form a cyclic amine, Ar1 is aryldiyl or heteroaryldiyl, Ar2 is optionally substituted phenylene or heteroaryldiyl, L1 is an a -R5-R6- linkage where R5 is alkylene, alkenylene or alkynylene and R6 is a direct bond, cycloalkylene, heterocycloalkylene, arylene, heteroaryldiyl, -C(=Z?1)-NR4-, -NR4-C(=Z1)-, -Z1¿-, -C(=O)-, -C(=NOR?4)-, -NR4-, -NR4-C(=Z1)-NR4¿-, -SO¿2?-NR?4-, -NR4-SO¿2-, -O-C(=O)-, -C(=O)-O-, -NR4-C(=O)-O- or -O-C(=O)-NR4-, L2 is a direct bond, an optionally substituted alkylene, alkenylene, alkynylene, cycloalkenylene, cycloalkylene, heteroaryldiyl, heterocycloalkylene or aryldiyl linkage, a -[C(=O)-N(R?9)-C(R4)(R10)]¿p-linkage, a-Z3-R11-linkage, a -C(=O)-CH¿2?-C(=O)- linkage or a -R?11-Z3-R11¿- linkage, and Y is carboxy or an acid bioisostere; and the corresponding N-oxides, and their prodrugs; and pharmaceutically acceptable salts and solvates (e.g. hydrates) of such compounds and their N-oxides and prodrugs. Such compounds have valuable pharmaceutical properties, in particular the ability to regulate the interaction of VCAM-1 and fibronectin with the integrin VLA-4 (α4β1).