2-(甲基硫代)-5-硝基苯甲酸甲酯 | 191604-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(甲基硫代)-5-硝基苯甲酸甲酯
• 英文名称: methyl 2-methylthio-5-nitrobenzoate
• 英文别名: Methyl 2-(methylthio)-5-nitrobenzoate；methyl 2-methylsulfanyl-5-nitrobenzoate
• CAS: 191604-70-3
• 化学式: C₉H₉NO₄S
• mdl: MFCD00052234
• 分子量: 227.241
• InChiKey: BULMXSINASASPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  130 °C
• 沸点：
  362.9±32.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  97.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  铁粉 、 2-(甲基硫代)-5-硝基苯甲酸甲酯 以 水 、 溶剂黄146 为溶剂， 生成 methyl 2-methylthio-5-aminobenzoate
  参考文献：
  名称：

  Substituted 4-(1H-benzimidazol-2-yl-amino)piperidines useful for the treatment of allergic diseases

  摘要：

  本发明涉及一种新型的取代哌啶衍生物，其化学式为（1），其立体异构体以及药学上可接受的盐，这些衍生物可用作组胺受体拮抗剂和速激肽受体拮抗剂。这些拮抗剂在过敏性鼻炎的治疗中很有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。

  公开号：

  US06211199B1
• 作为产物：
  描述：

  甲硫醇钠 、 2-氯-5-硝基苯甲酸甲酯 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(甲基硫代)-5-硝基苯甲酸甲酯
  参考文献：
  名称：

  EP1193246

  摘要：

  公开号：

文献信息

• Substituted 4-(1H-benzimidazol-2-yl-amino)piperidines useful for the treatment of allergic diseases
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06211199B1

  公开（公告）日：2001-04-03

  The present invention relates to novel substituted piperidine derivatives of formula (1), stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新型的取代哌啶衍生物，其化学式为（1），其立体异构体以及药学上可接受的盐，这些衍生物可用作组胺受体拮抗剂和速激肽受体拮抗剂。这些拮抗剂在过敏性鼻炎的治疗中很有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases
  申请人：——

  公开号：US20010034343A1

  公开（公告）日：2001-10-25

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula 1 and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物及其立体异构体，以及其药学上可接受的盐，其作为组胺受体拮抗剂和速激肽受体拮抗剂具有用途。这些拮抗剂在过敏性鼻炎的治疗中有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Substituted 4-(1H-benzimidazol-2-yl)[1,4]diazepanes useful for the treatment of allergic disease
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06194406B1

  公开（公告）日：2001-02-27

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula (1): and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物的化合物（1）及其立体异构体，以及其药学上可接受的盐，这些化合物可用作组胺受体拮抗剂和速激肽受体拮抗剂。这些拮抗剂在过敏性鼻炎的治疗中很有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Aminobenzoic acid derivatives
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：US06720424B1

  公开（公告）日：2004-04-13

  Aminobenzoic acid derivatives represented by Formula (1) as follows: (wherein, R1 represents a hydrogen atom, a C1-6alkyl group, or the like; R2 represents a hydrogen atom, a C1-6alkyl group, or the like; R3 represents a C8-25alkyl group, or the like; R4 represents a hydrogen atom or a group represented by OR9 or CO2R10 (wherein R9 and R10 represent a hydrogen atom or a C1-6 alkyl group); A represents a group represented by S(O)qR15 (wherein q is 0, 1, or 2, R15 represents a C1-6alkyl group, a phenyl C1-3alkyl group, or a group represented by (CH2)mOR16 (wherein m is 2 or 3, and R16 represents a hydrogen atom or a methoxymethyl group), or the like; X represents O, a single bond, CH═CH, or a group represented by NR27 (wherein R27 represents a hydrogen atom or a t-butoxycarbonyl group); Y represents O, CONH, NHCO, or a group represented by NR28 (wherein R28 represents a hydrogen atom or a t-butoxycarbonyl group); and n is an integer of 0 to 15) or pharmaceutically acceptable salts of the same are employed as VEGF receptor antagonists, and in particular as therapeutic agents for the diseases in which VEGF is involved.

  以下是公式（1）所代表的氨基苯甲酸衍生物：（其中，R1代表氢原子，C1-6烷基或类似物；R2代表氢原子，C1-6烷基或类似物；R3代表C8-25烷基或类似物；R4代表氢原子或OR9或CO2R10所代表的基团（其中，R9和R10代表氢原子或C1-6烷基）；A代表S（O）qR15所代表的基团（其中，q为0、1或2，R15代表C1-6烷基，苯基C1-3烷基或(CH2)mOR16所代表的基团（其中，m为2或3，R16代表氢原子或甲氧甲基基团）或类似物；X代表O、单键、CH═CH或NR27所代表的基团（其中，R27代表氢原子或叔丁氧羰基基团）；Y代表O、CONH、NHCO或NR28所代表的基团（其中，R28代表氢原子或叔丁氧羰基基团）；n为0至15的整数）或其药学上可接受的盐可用作VEGF受体拮抗剂，特别是用于VEGF参与的疾病的治疗剂。
• AMINOBENZOIC ACID DERIVATIVES
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1193246A1

  公开（公告）日：2002-04-03

  Aminobenzoic acid derivatives represented by Formula (1) as follows: (wherein, R1 represents a hydrogen atom, a C1-6 alkyl group, or the like; R2 represents a hydrogen atom, a C1-6 alkyl group, or the like; R3 represents a C8-25 alkyl group, or the like; R4 represents a hydrogen atom or a group represented by OR9 or CO2R10 (wherein R9 and R10 represent a hydrogen atom or a C1-6 alkyl group); A represents a group represented by S(O)qR15 (wherein q is 0, 1, or 2, R15 represents a C1-6 alkyl group, a phenyl C1-3 alkyl group, or a group represented by (CH2)mOR16 (wherein m is 2 or 3, and R16 represents a hydrogen atom or a methoxymethyl group), or the like; X represents O, a single bond, CH=CH, or a group represented by NR27 (wherein R27 represents a hydrogen atom or a t-butoxycarbonyl group); Y represents O, CONH, NHCO, or a group represented by NR28 (wherein R28 represents a hydrogen atom or a t-butoxycarbonyl group); and n is an integer of 0 to 15) or pharmaceutically acceptable salts of the same are employed as VEGF receptor antagonists, and in particular as therapeutic agents for the diseases in which VEGF is involved.

  由式（1）代表的氨基苯甲酸衍生物如下： (其中，R1 代表氢原子、C1-6 烷基或类似物；R2 代表氢原子、C1-6 烷基或类似物；R3 代表 C8-25 烷基或类似物；R4 代表氢原子或由 OR9 或 CO2R10 所代表的基团（其中 R9 和 R10 代表氢原子或 C1-6 烷基）；A 代表由 S(O)qR15（其中 q 是 0、1 或 2，R15 代表 C1-6 烷基、苯基 C1-3 烷基或由（CH2）mOR16（其中 m 是 2 或 3，R16 代表氢原子或甲氧基甲基）代表的基团或类似基团）表示的基团；X代表O、单键、CH＝CH或由NR27代表的基团（其中R27代表氢原子或叔丁氧羰基）；Y代表O、CONH、NHCO或由NR28代表的基团（其中R28代表氢原子或叔丁氧羰基）；以及n为0至15的整数）或其药学上可接受的盐被用作血管内皮生长因子受体拮抗剂，特别是用作血管内皮生长因子参与的疾病的治疗剂。