methyl 2-(1,3-benzodioxol-5-yl)-2-methyl propanoate | 476429-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: methyl 2-(1,3-benzodioxol-5-yl)-2-methyl propanoate
• 英文别名: methyl α-(3,4-dioxolanephenyl)isobutyrate；methyl 2-(1,3-benzodioxol-5-yl)-2-methylpropanoate
• CAS: 476429-14-8
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: LXFBEXIZTPMNAO-UHFFFAOYSA-N

物化性质

• 沸点：
  291.6±29.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-(1,3-benzodioxol-5-yl)-2-methyl propanoate 在 lithium aluminium tetrahydride 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-(1,3-benzodioxol-5-yl)-2-methylpropanal
  参考文献：
  名称：

  SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA

  摘要：

  本发明涉及通式1的化合物，用于通过抑制IL-4或IL-5途径的抑制治疗支气管哮喘。本发明还涉及使用通式1的化合物通过抑制IL-4或IL-5途径的抑制治疗支气管哮喘。本发明还涉及通过口服、鼻内、或吸入途径向需要治疗的哺乳动物给予化合物或所述组合物来抑制IL-4或IL-5途径以治疗哮喘的方法。通式1的化合物可用于减少周围血管和支气管炎症。

  公开号：

  US20140135393A1
• 作为产物：
  描述：

  苯并[1,3]二氧代l-5-乙酸甲酯 在 正丁基锂 、 二异丙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 2-(1,3-benzodioxol-5-yl)-2-methyl propanoate
  参考文献：
  名称：

  SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA

  摘要：

  本发明涉及通式1的化合物，用于通过抑制IL-4或IL-5途径的抑制治疗支气管哮喘。本发明还涉及使用通式1的化合物通过抑制IL-4或IL-5途径的抑制治疗支气管哮喘。本发明还涉及通过口服、鼻内、或吸入途径向需要治疗的哺乳动物给予化合物或所述组合物来抑制IL-4或IL-5途径以治疗哮喘的方法。通式1的化合物可用于减少周围血管和支气管炎症。

  公开号：

  US20140135393A1

文献信息

• Efficient Synthesis of α-Aryl Esters by Room-Temperature Palladium-Catalyzed Coupling of Aryl Halides with Ester Enolates
  作者：Morten Jørgensen、Sunwoo Lee、Xiaoxiang Liu、Joanna P. Wolkowski、John F. Hartwig

  DOI：10.1021/ja027643u

  日期：2002.10.1

  arylation of alpha,alpha-disubstituted esters were developed with LiNCy(2) as base and P(t-Bu)(3) as ligand. In addition, tert-butyl esters, such as those of Naproxen and Flurbiprofen, were prepared from tert-butyl propionate and aryl bromides in high yields in the presence of Pd(dba)(2) and the hindered, saturated heterocyclic carbene ligand precursor.

  催化量的 Pd(dba)(2) 由卡宾前体 N,N'-双(2,6-二异丙基苯基)-4,5-二氢咪唑鎓 (1) 或 P(t-Bu)(3) 介导芳基卤化物和酯烯醇化物在室温下以高产率偶联产生α-芳基酯。该反应对芳基卤化物上的官能团和取代模式具有高度耐受性。使用 LiNCy(2) 作为基础和 P(t-Bu)(3) 作为配体开发了用于选择性单芳基化乙酸叔丁酯和 α、α-二取代酯的有效芳基化的改进方案。此外，在 Pd(dba)(2) 和受阻饱和杂环卡宾配体前体存在下，由丙酸叔丁酯和芳基溴化物以高产率制备叔丁酯，例如萘普生和氟比洛芬。
• [EN] INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO)<br/>[FR] INHIBITEURS DE LA PHOSPHATIDYLINOSITOL-3-KINASE (PI3) ET INDUCTEURS D'OXYDE NITRIQUE (NO)
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2010079423A1

  公开（公告）日：2010-07-15

  The present invention relates to compounds of general formula 1 for the treatment of malignancy by inhibition of PI3-Akt pathway and or induction of NO. The present invention also relates to the use of compound of general formula 1 for the treatment of malignancy by inhibition of PI3-Akt pathway and or induction of NO. The present invention further relates to a method of treating malignancy by inhibition of PI3-Akt pathway and or induction of NO by administration of compound or said composition to a mammal in need thereof.

  本发明涉及通式1的化合物，通过抑制PI3-Akt通路和/或诱导NO来治疗恶性肿瘤。本发明还涉及使用通式1的化合物通过抑制PI3-Akt通路和/或诱导NO来治疗恶性肿瘤。本发明还涉及通过向需要该治疗的哺乳动物给予该化合物或该组合物来抑制PI3-Akt通路和/或诱导NO治疗恶性肿瘤的方法。
• Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors
  申请人：——

  公开号：US20020010315A1

  公开（公告）日：2002-01-24

  The present invention relates to certain substituted oxadiazole peptoids and nonpeptoids useful as inhibitors of serine proteases, especially human neutophil elastase (HNE). Compounds of the present invention are useful for the treatment or amelioration of symptoms of adult respiratory distress syndrome, septic shock, and multiple organ failure. Processes mediated by HNE are also implicated in conditions such as arthritis, periodontal disease, glomerulonephritis, and cystic fibrosis.

  本发明涉及某些取代噁唑肽和非肽类化合物，其可用作丝氨酸蛋白酶抑制剂，特别是人类中性粒细胞弹性蛋白酶（HNE）的抑制剂。本发明化合物可用于治疗或缓解成人呼吸窘迫综合症、脓毒症休克和多器官衰竭的症状。由HNE介导的过程也与关节炎、牙周病、肾小球肾炎和囊性纤维化等疾病有关。
• INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO)
  申请人：Bandyopadhyay Santu

  公开号：US20120190738A1

  公开（公告）日：2012-07-26

  The present invention relates to compounds of general formula I for the treatment of malignancy by inhibition of PI3-Akt pathway and or induction of NO. The present invention also relates to the use of compound of general formula I for the treatment of malignancy by inhibition of PI3-Akt pathway and or induction of NO. The present invention further relates to a method of treating malignancy by inhibition of PI3-Akt pathway and or induction of NO by administration of compound or said composition to a mammal in need thereof.

  本发明涉及一般式I的化合物，通过抑制PI3-Akt途径和/或诱导NO治疗恶性肿瘤。本发明还涉及使用一般式I的化合物通过抑制PI3-Akt途径和/或诱导NO治疗恶性肿瘤。本发明还涉及一种通过向需要该治疗的哺乳动物给予化合物或所述组合物来抑制PI3-Akt途径和/或诱导NO治疗恶性肿瘤的方法。
• Development of Orally Active Nonpeptidic Inhibitors of Human Neutrophil Elastase
  作者：Kazuyuki Ohmoto、Tetsuya Yamamoto、Motohiro Okuma、Toshihide Horiuchi、Hirotoshi Imanishi、Yoshihiko Odagaki、Kazuhito Kawabata、Tomohiko Sekioka、Yasushi Hirota、Shozo Matsuoka、Hisao Nakai、Masaaki Toda、John C. Cheronis、Lyle W. Spruce、Albert Gyorkos、Maciej Wieczorek

  DOI：10.1021/jm000410y

  日期：2001.4.1

  5-Amino-2-phenylpyrimidin-6-ones, some of their desamino derivatives, and miscellaneous derivatives were synthesized and biologically evaluated on both in vitro activity and oral activity in an acute hemorrhagic assay. These compounds contained an alpha -keto-1,3,4-oxadiazole moiety to bind covalently to the Ser-195 hydroxy group of human neutrophil elastase (HNE). Among those tested, compounds 11a-c,e,i-1(F), 11d,e,k(H), ald,e,k(F), and ald,e(H) showed a good oral profile. RS-Mixture 3(H) was selected for clinical evaluation based on its oral potency, duration of action, enzyme selectivity, safety profile, and ease of synthesis. Structure-activity relationships (SARs) are discussed.