benzo[d][1,3]dioxol-5-ylglycine methyl ester | 126132-93-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzo[d][1,3]dioxol-5-ylglycine methyl ester
• 英文别名: methyl 2-(benzo[d][1,3]dioxol-5-ylamino)acetate；methyl N-(1,3-benzodioxol-5-yl)-glycinate；methyl N-1,3-benzodioxol-5-ylglycinate；methyl 2-(1,3-benzodioxol-5-ylamino)acetate
• CAS: 126132-93-2
• 化学式: C₁₀H₁₁NO₄
• mdl: MFCD03997733
• 分子量: 209.202
• InChiKey: OBXAWNJYVSCLBR-UHFFFAOYSA-N

物化性质

• 沸点：
  327.2±42.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzo[d][1,3]dioxol-5-ylglycine methyl ester 在 甲醇 、 sodium hydroxide 作用下， 反应 16.0h， 以98%的产率得到benzo[d][1,3]dioxol-5-ylglycine
  参考文献：
  名称：

  具有吲哚胺-2,3-双加氧酶抑制活性的喹啉衍生物

  摘要：

  本申请提供具有吲哚胺‑2,3‑双加氧酶抑制活性的喹啉衍生物，具体地，本申请提供通式(I)化合物或其药学上可接受的盐，其药物组合物，制备方法和在制备免疫调节及预防和/或治疗与IDO表达异常和/或色氨酸代谢异常有关的疾病的药物中的用途。本申请还涉及所述喹啉衍生物与HDAC抑制剂的联合用药及其在制备抗肿瘤药物中的用途。

  公开号：

  CN110950842B
• 作为产物：
  描述：

  3,4-亚甲二氧基苯胺 、 溴乙酸甲酯 以 四氢呋喃 为溶剂， 生成 benzo[d][1,3]dioxol-5-ylglycine methyl ester
  参考文献：
  名称：

  Benzodioxole derivatives and hepatopathy improvers comprising the same

  摘要：

  肝病改善剂包含以下公式所代表的一种或多种苯二噁唑衍生物作为有效成分：##STR1## 其中A表示特定的含氮或含硫基团。这些苯二噁唑衍生物大多是新颖的。

  公开号：

  US05227398A1

文献信息

• QUINOLONE DERIVATIVE HAVING INDOLEAMINE-2,3-DIOXYGENASE INHIBITED ACTIVITY
  申请人：Shenzhen Chipscreen Biosciences Co., Ltd.

  公开号：EP3858813A1

  公开（公告）日：2021-08-04

  Provided is a quinoline derivative having indoleamine-2,3-dioxygenase inhibitory activity, specifically, provided is a compound of general Formula (I) or pharmaceutically acceptable salt thereof, its pharmaceutical composition, preparation method and use in the manufacture of a medicament for immunomodulating and preventing and/or treating of a disease associated with IDO expression abnormality and/or tryptophan metabolism abnormality. Also provided is use of a combination medication of the quinoline derivative and HDAC inhibitor and its use in the manufacture of an anti-tumor drug.         A-X-B-Y-M     Formula (I)

  本发明提供了一种具有吲哚胺-2,3-二氧化酶抑制活性的喹啉衍生物，具体地说，提供了通式（I）的化合物或其药学上可接受的盐、其药物组合物、制备方法以及在制造用于免疫调节和预防和/或治疗与IDO表达异常和/或色氨酸代谢异常相关的疾病的药物中的用途。此外，还提供了喹啉衍生物和 HDAC 抑制剂的联合用药及其在制造抗肿瘤药物中的用途。 A-X-B-Y-M 分子式 (I)
• (Phosphinyloxy)acyl amino acid inhibitors of angiotensin converting enzyme. 2. Terminal amino acid analogs of (S)-1-[6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-L-proline
  作者：Donald S. Karanewsky、Michael C. Badia、David W. Cushman、Jack M. DeForrest、Tamara Dejneka、Ving G. Lee、Melanie J. Loots、Edward W. Petrillo

  DOI：10.1021/jm00167a028

  日期：1990.5

  Analogues of (S)-1-[6-amino-2[[hydroxy(4-phenylbutyl)phosphinyl] oxy]-1-oxohexyl]-L-proline (1, SQ 29,852) in which the terminal proline residue has been replaced by a variety of substituted and heteroatom-substituted prolines, N-arylglycines, N-cycloalkylglycines, and bicyclic amino acids have been synthesized and evaluated as inhibitors of angiotensin converting enzyme in vitro and in vivo. In general, the addition of lipophilic substituents to the 4-position of proline of the parent phosphonate 1 resulted in substantial increases in in vitro activity. The largest improvements were observed in the case of cis-benzyl (36-fold) and dithioketal (24-fold) analogues 2r and 2x, respectively. These enhancements of in vitro activity were accompanied by modest increases (2-3.5-fold) in in vivo (iv) activity. Among the various terminal amino acid replacements examined in this study, the indoline-based analogue 2i was by far the most potent compound on iv administration in the normotensive rat.
• JPH04193828A
  申请人：——

  公开号：JPH04193828A

  公开（公告）日：1992-07-13
• QUINOLINE DERIVATIVE HAVING INDOLEAMINE-2,3-DIOXYGENASE INHIBITORY ACTIVITY
  申请人：SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD.

  公开号：US20210379052A1

  公开（公告）日：2021-12-09

  Provided is a quinoline derivative having indoleamine-2,3-dioxygenase inhibitory activity, specifically, provided is a compound of general Formula (I) or pharmaceutically acceptable salt thereof, its pharmaceutical composition, preparation method and use in the manufacture of a medicament for immunomodulating and preventing and/or treating of a disease associated with IDO expression abnormality and/or tryptophan metabolism abnormality. Also provided is use of a combination medication of the quinoline derivative and HDAC inhibitor and its use in the manufacture of an anti-tumor drug. A-X—B—Y-M   Formula (I)
• US5227398A
  申请人：——

  公开号：US5227398A

  公开（公告）日：1993-07-13