methyl 4-iodo-2-(methoxymethoxy)benzoate | 51985-45-6

• 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: methyl 4-iodo-2-(methoxymethoxy)benzoate
• CAS: 51985-45-6
• 化学式: C₁₀H₁₁IO₄
• 分子量: 322.099
• InChiKey: KNIBDRFICXHGBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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 4-iodo-2-(methoxymethoxy)benzoate 在 四(三苯基膦)钯 、 lithium hydroxide monohydrate 、 potassium acetate 、 palladium diacetate 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 4-(7-cyanopyrrolo[1,2-b]pyridazine-5-yl)-2-hydroxy benzoic acid
  参考文献：
  名称：

  (AZA)INDOLIZINE DERIVATIVES AS XANTHINE OXIDASE INHIBITORS

  摘要：

  公开号：

  EP2623505B1
• 作为产物：
  描述：

  2-羟基-4-碘苯甲酸 在 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 methyl 4-iodo-2-(methoxymethoxy)benzoate
  参考文献：
  名称：

  基于Mn II / III三叶桨轮金属加密的三维多孔结构

  摘要：

  使用水杨基异羟肟酸衍生物（H 3 L）已获得三个金属甲酸盐超分子组装体。相对于异羟肟酸酯功能，三种配体的对位残基不同（-H，-NH 2和-（4-吡啶基））。这些超分子的核心对应于式[（锰II）2（锰III）9（μ 3 -O）4（OAC）3（SHI）6 ] 2+（缩写为锰11大号6所有三种化合物中的） 。额外的乙酸根或氢氧根离子和DMF分子与Mn配位III离子。当L 3– = Shi 3 –时，Mn 11 L 6单元组装成无孔结构，其中金属层合物通过在单元之间桥接的Na I离子连接在一起。相反，当L 3– = p -aShi 3–（NH 2基）和p -pyShi 3–（4-吡啶基）时，这些单元分别以平行链和MOF状结构组装。在两种固体中，均获得了蜂窝状多孔结构，其中无限的通道沿晶体结构延伸。与p -aShi 3–一起，Na I由氨基的存在提供的桥连离子和氢键表征了超分子的平行链之间的相互作用。另一方面，使用p

  DOI：

  10.1021/acs.cgd.8b01921

文献信息

• INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shimizu Kazuo

  公开号：US20120015972A1

  公开（公告）日：2012-01-19

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal serum uric acid level and the like. That is, the present invention relates to indolizine derivatives represented by the following formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, salts thereof or the like. In the formula, ring U represents aryl or heteroaryl; R 1 represents halogen, a hydroxy group or the like; R 2 represents halogen, a hydroxy group, alkyl, alkoxy, alkyl substituted by fluorine, alkoxy substituted by fluorine or the like; m represents a number from 0 to 2; n represents a number from 0 to 3; and R 3 represents hydrogen, fluorine or the like.

  本发明提供了作为与异常血清尿酸水平相关的疾病的预防或治疗剂的化合物。也就是说，本发明涉及由以下式（I）所表示的吲哚啉衍生物，具有黄嘌呤氧化酶抑制活性，并且作为与血清尿酸水平异常相关的疾病的预防或治疗剂，其前药，其盐或类似物。在该式中，环U代表芳基或杂环芳基；R1代表卤素，羟基或类似物；R2代表卤素，羟基，烷基，烷氧基，氟取代的烷基，氟取代的烷氧基或类似物；m代表0到2之间的数字；n代表0到3之间的数字；R3代表氢，氟或类似物。
• Discovery of a series of acrylic acids and their derivatives as chemical leads for selective EP3 receptor antagonists
  作者：Masaki Asada、Tetsuo Obitsu、Toshihiko Nagase、Isamu Sugimoto、Yoshiyuki Yamaura、Kazutoyo Sato、Masami Narita、Shuichi Ohuchida、Hisao Nakai、Masaaki Toda

  DOI：10.1016/j.bmc.2009.08.007

  日期：2009.9

  A series of acrylic acids and their structurally related compounds were evaluated for their binding affinity to four EP receptor subtypes (EP1-4). Starting from the initial hit 3, which was discovered in our in-house library, compounds 4 and 5 were identified as new chemical leads as candidates for further optimization towards a selective EP3 receptor antagonist. The identification process of these

  评价了一系列丙烯酸及其与结构相关的化合物与四种EP受体亚型（EP1-4）的结合亲和力。从在我们的内部库中发现的第3个匹配项开始，化合物4和5被确定为新的化学线索，可作为进一步优化选择性EP3受体拮抗剂的候选对象。介绍了这些化合物的鉴定过程及其药代动力学特征。
• Modulating Guest Uptake in Core–Shell MOFs with Visible Light
  作者：Dragos Mutruc、Alexis Goulet‐Hanssens、Sam Fairman、Sebastian Wahl、Annett Zimathies、Christopher Knie、Stefan Hecht

  DOI：10.1002/anie.201906606

  日期：2019.9.9

  A two-component core-shell UiO-68 type metal-organic framework (MOF) with a nonfunctionalized interior for efficient guest uptake and storage and a thin light-responsive outer shell was prepared by initial solvothermal MOF synthesis followed by solvent-assisted linker exchange. The bulky shell linker features two tetra-ortho-fluorinated azobenzene moieties to exploit their advantageous photoisomerization

  通过最初的溶剂热MOF合成，然后通过溶剂辅助的连接子交换，制备了具有非功能化内部结构的两组分核-壳UiO-68型金属有机骨架（MOF），以有效地吸收和存储客体，并形成了薄的光响应性外壳。 。庞大的壳连接体具有两个四氟代的偶氮苯部分，以利用其有利的光异构特性。仅使用可见光，就可以在富E和富Z态之间以空前的效率反复切换获得的完美八面体MOF单晶。由于壳层的每个孔的光开关密度高，因此在绿光和蓝光照射下，可以方便地调节其空间需求以及分子吸收（和释放）。因此，“聪明”
• 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shimizu Kazuo

  公开号：US20100227864A1

  公开（公告）日：2010-09-09

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal serum uric acid level which has a uricosuric activity or the like. The present invention relates to 5-membered heterocyclic derivatives represented by the following general formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, or salts thereof. In the formula (I), T represents nitro, cyano and the like; ring J represents aryl or heteroaryl; Q represents carboxy, 5-tetazolyl and the like; Y represents H, OH, NH 2 , halogen, haloalkyl and the like; X 1 and X 2 independently represent CR 2 or N; R 2 represents H, alkyl and the like; R 1 represents halogen, cyano, haloalkyl, A-D-E-G-L-M, -N(-D-L-M) 2 and the like, in the formula, A represents a single bond, O, S and the like; D, G and M independently represent optionally substituted alkylene, cycloalkylene, heterocycloalkylene, arylene, heteroarylene and the like; E and L independently represent a single bond, O, S, COO, SO 2 and the like.

  本发明提供了一种化合物，其具有尿酸排泄活性或类似活性，可用作预防或治疗与异常血清尿酸水平相关的疾病的药剂。本发明涉及以下通式（I）表示的具有黄嘌呤氧化酶抑制活性的5-成员杂环衍生物，其可用作预防或治疗与血清尿酸水平异常相关的疾病的药剂、其前药或其盐。在公式（I）中，T表示硝基、氰基等；环J表示芳基或杂芳基；Q表示羧基、5-四唑基等；Y表示H、OH、NH2、卤素、卤代烷基等；X1和X2独立地表示CR2或N；R2表示H、烷基等；R1表示卤素、氰基、卤代烷基、A-D-E-G-L-M、-N（-D-L-M）2等，在公式中，A表示单键、O、S等；D、G和M独立地表示可选取代的烷基、环烷基、杂环烷基、芳基、杂芳基等；E和L独立地表示单键、O、S、COO、SO2等。
• 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：Shimizu Kazuo

  公开号：US20120289506A1

  公开（公告）日：2012-11-15

  5-membered heterocyclic derivatives represented by general formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, or salts thereof. In the formula (I), T represents nitro, cyano and the like; ring J represents aryl or heteroaryl; Q represents carboxy, 5-tetazolyl and the like; Y represents H, OH, NH 2 , halogen, haloalkyl and the like; X 1 and X 2 independently represent CR 2 or N; R 2 represents H, alkyl and the like; R 1 represents halogen, cyano, haloalkyl, A-D-E-G-L-M, —N(-D-L-M) 2 and the like, A represents a single bond, O, S and the like; D, G and M independently represent optionally substituted alkylene, cycloalkylene, heterocycloalkylene, arylene, heteroarylene and the like; E and L independently represent a single bond, O, S, COO, SO 2 and the like.

  通式（I）所表示的5元杂环衍生物具有黄嘌呤氧化酶抑制活性，并且可作为预防或治疗与血清尿酸水平异常相关的疾病的药剂，其前药或盐。在公式（I）中，T表示硝基，氰基等；环J表示芳基或杂芳基；Q表示羧基，5-四唑基等；Y表示H，OH，NH2，卤素，卤代烷基等；X1和X2独立地表示CR2或N；R2表示H，烷基等；R1表示卤素，氰基，卤代烷基，A-D-E-G-L-M，-N（-D-L-M）2等，其中A表示单键，O，S等；D，G和M分别表示可选取代的烷基，环烷基，杂环烷基，芳基，杂芳基等；E和L独立地表示单键，O，S，COO，SO2等。