2-amino-4-carbomethoxy-phenylacetaldehyde dimethylacetal | 167478-76-4

• 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: 2-amino-4-carbomethoxy-phenylacetaldehyde dimethylacetal
• 英文别名: methyl 3-amino-4-(2,2-dimethoxyethyl)benzoate
• CAS: 167478-76-4
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: FWZSWIXOPWURKN-UHFFFAOYSA-N

物化性质

• 沸点：
  353.5±42.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-4-carbomethoxy-phenylacetaldehyde dimethylacetal 在 盐酸 作用下， 以 乙醇 为溶剂， 以3.00 g (>99%)的产率得到吲哚-6-甲酸甲酯
  参考文献：
  名称：

  US6169107

  摘要：

  公开号：
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲酸 在 palladium on activated charcoal 三甲基氯硅烷 、 氢气 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 140.0 ℃ 、344.73 kPa 条件下， 反应 36.0h， 生成 2-amino-4-carbomethoxy-phenylacetaldehyde dimethylacetal
  参考文献：
  名称：

  通过改良的Leimgruber-Batcho吲哚合成法方便地制备N-取代的吲哚

  摘要：

  由容易获得的Leimgruber-Batcho吲哚合成衍生的中间体制备的前吲哚3的修饰还原烷基化，然后进行酸性甲醇分解，生成6-碳甲氧基-N-取代的吲哚。提出了由取代的2-硝基甲苯1以66％的收率并转化为多种N-取代的吲哚的三步制备吲哚3的步骤。

  DOI：

  10.1016/0040-4039(96)01311-1

文献信息

• Indole derivative having piperidine ring
  申请人：Suzuki Yuichi

  公开号：US20050256103A1

  公开（公告）日：2005-11-17

  The present invention relates to a compound represented by the following formula, a pharmacologically acceptable salt thereof, or a use thereof as a pharmaceutical: wherein R 1 and R 2 are substituents adjacent to each other, and together with two carbon atoms to each of which they attach, form a 5- to 7-membered non-aromatic carbocyclic group or the like, which may be substituted by 1 to 4 substituents selected from (1) an oxo group, (2) a hydroxyl group, and the like; R 3 represents a hydrogen atom or the like; and R 6 represents a hydrogen atom or the like. It is an object of the present invention to discover an agent for treating or preventing lower urinary tract symptoms, and particularly symptoms regarding urinary storage, which has a superior strength of binding to a 5-HT1A receptor and an antagonism to the receptor.

  本发明涉及以下公式所代表的化合物，其药学上可接受的盐，或其作为药物的用途： 其中R1和R2是相邻的取代基，与它们各自连接的两个碳原子一起形成一个5-至7-成员非芳香碳环基或类似物，该基可能被1至4个取代基所取代，所述取代基选自（1）氧代基，（2）羟基等；R3代表氢原子或类似物；R6代表氢原子或类似物。 本发明的目的是发现一种用于治疗或预防下尿道症状，特别是涉及尿液储存的症状的药剂，该药剂具有优越的结合力与5-HT1A受体结合并对该受体具有拮抗作用。
• Substituted pyrroles
  申请人：Hoffmann-La Roche Inc.

  公开号：US05856517A1

  公开（公告）日：1999-01-05

  Compounds of the formula ##STR1## wherein R.sup.1 and R.sup.1' are independently alkyl, aryl, alkenyl or alkynyl; R.sup.2 and R.sup.2' are independently hydrogen or alkyl; R.sup.4, R.sup.5, R.sup.6 and R.sup.7 each independently are ##STR2## CH.sub.2 OR.sup.10, CHO, CH.sub.2 NR.sup.11 R.sup.12, hydrogen, halogen, cyano, alkyl, hydroxy, alkoxy, aryloxy, haloalkyl, nitro, amino, acylamino, aralkyloxy, monoalkylamino, dialkylamino, alkylthio, alkylsulphinyl or alkylsulphonyl, provided that at least one of R.sup.4, R.sup.5, R.sup.6 or R.sup.7 is cyano, ##STR3## CH.sub.2 OR.sup.10, CH.sub.2 NR.sup.11 R.sup.12, or CHO ; R.sup.8 is alkyl, aralkyl or aryl; R.sup.10 is hydrogen, alkyl, aralkyl or aryl; R.sup.11 and R.sup.12 are independently hydrogen, alkyl, aryl, aralkyl or acyl; one of X and Y signifies O and the other signifies O, S, (H,OH) or (H,H); as well as pharmaceutically acceptable prodrugs or salts of acidic compounds of formula I with bases and or basic compounds of formula I with acids are antiproliferative agents useful in the treatment of cancer.

  式##STR1##中的化合物，其中R.sup.1和R.sup.1'分别独立地是烷基、芳基、烯基或炔基；R.sup.2和R.sup.2'独立地是氢或烷基；R.sup.4、R.sup.5、R.sup.6和R.sup.7每个独立地是##STR2## CH.sub.2 OR.sup.10、CHO、CH.sub.2 NR.sup.11 R.sup.12、氢、卤素、氰基、烷基、羟基、烷氧基、芳氧基、卤代烷基、硝基、氨基、酰胺基、芳基氧基、单烷基氨基、双烷基氨基、烷基硫基、烷基砜基或烷基砜酰基，前提是R.sup.4、R.sup.5、R.sup.6或R.sup.7中至少有一个是氰基，##STR3## CH.sub.2 OR.sup.10、CH.sub.2 NR.sup.11 R.sup.12或CHO；R.sup.8是烷基、芳基烷基或芳基；R.sup.10是氢、烷基、芳基烷基或芳基；R.sup.11和R.sup.12独立地是氢、烷基、芳基、芳基烷基或酰基；X和Y中的一个表示O，另一个表示O、S、(H,OH)或(H,H)；以及具有公认的药用价值的酸性化合物或碱性化合物的药物可接受的前药或盐的抗增殖剂在癌症治疗中有用。
• Indole Derivative Having Piperidine Ring
  申请人：Suzuki Yuichi

  公开号：US20070219179A1

  公开（公告）日：2007-09-20

  The present invention relates to a compound represented by the following formula, a pharmacologically acceptable salt thereof, or a use thereof as a pharmaceutical: wherein R 1 and R 2 are substituents adjacent to each other, and together with two carbon atoms to each of which they attach, form a 5- to 7-membered non-aromatic carbocyclic group or the like, which may be substituted by 1 to 4 substituents selected from (1) an oxo group, (2) a hydroxyl group, and the like; R 3 represents a hydrogen atom or the like; and R 6 represents a hydrogen atom or the like. This compound has a superior strength of binding to a 5-HT1A receptor and an antagonism to the receptor, and is useful as an agent for treating or preventing lower urinary tract symptoms, and particularly symptoms regarding urinary storage.

  本发明涉及一种化合物，其表示为以下公式，其药理学上可接受的盐或其用途作为药物：其中R1和R2是相邻的取代基，并与它们附着的两个碳原子一起形成一个5-至7-成员的非芳香族碳环基团或类似物，该基团可以被1至4个取代基所取代，所述取代基包括(1)氧代基、(2)羟基等；R3表示氢原子或类似物；R6表示氢原子或类似物。该化合物具有优越的与5-HT1A受体结合的强度和对受体的拮抗作用，并可用作治疗或预防下尿路症状，特别是涉及尿液储存的症状的药剂。
• Substituted pyrroles compositions
  申请人：Hoffmann-La Roche Inc.

  公开号：US06030994A1

  公开（公告）日：2000-02-29

  Compounds of the formula ##STR1## wherein R.sup.1, R.sup.1 ', R.sup.2, R.sup.2 ' R.sup.4, R.sup.5, R.sup.6 and R.sup.7 are as described herein; as well as pharmaceutically acceptable prodrugs or salts of acidic compounds of formula I with bases and or basic compounds of formula I with acids are antiproliferative agents useful in the treatment of cancer.

  式为##STR1##的化合物，其中R.sup.1，R.sup.1'，R.sup.2，R.sup.2'，R.sup.4，R.sup.5，R.sup.6和R.sup.7如本文所述；以及公认为适用于药用的化合物I的酸性衍生物的前药或与酸性化合物I的碱和/或碱性化合物I的盐是抗增殖剂，可用于治疗癌症。
• Indoloylguanidine derivatives
  申请人：Sumitomo Pharmaceuticals Co., Ltd.

  公开号：US06248772B1

  公开（公告）日：2001-06-19

  Novel indoloylguanidine derivatives shown by formula (1), wherein R1 represents one or more, the same or different substituent(s) which is selected from the group consisting of a hydrogen atom, an alkyl group, a substituted alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a halogen atom, nitro group, an acyl group, carboxyl group, an alkoxycarbonyl group, an aromatic group, and a group shown by formula: —OR3, —NR6R7, —SO2NR6R7 or —S(O)nR40; and R2 represents a hydrogen atom, an alkyl group, a substituted alkyl group, a cycloalkyl group, hydroxy group, an alkoxy group or a group shown by formula: —CH2R20; and which inhibit the Na+/H+ exchanger activity and are useful for the treatment and prevention of a disease caused by increased Na+/H+ exchanger activity, such as hypertension, arrhythmia, angina pectoris, cardiac hypertrophy, diabetes, disorders associated with ischemia or ischemic reperfusion, cerebro-ischemic disorders; or diseases caused by excessive cell proliferation.

  化合物式（1）所示的新型吲哚基胍衍生物，其中R1表示一个或多个相同或不同的取代基，选自以下组成的群体：氢原子、烷基、取代烷基、烯基、炔基、环烷基、卤素原子、硝基、酰基、羧基、烷氧羰基、芳香基和由式子—OR3、—NR6R7、—SO2NR6R7或—S(O)nR40表示的基团；R2表示氢原子、烷基、取代烷基、环烷基、羟基、烷氧基或由式子—CH2R20表示的基团；这些化合物抑制Na+/H+交换活性，对于治疗和预防由增加的Na+/H+交换活性引起的疾病，如高血压、心律不齐、心绞痛、心肌肥厚、糖尿病、缺血或缺血再灌注相关的疾病、脑缺血性疾病或由过度细胞增殖引起的疾病有用。