methyl 3-[3-bromo-4-(indan-2-yloxy)-5-nitrophenyl]propionate | 590417-86-0

• 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 3-[3-bromo-4-(indan-2-yloxy)-5-nitrophenyl]propionate
• 英文别名: methyl 3-[3-bromo-4-(2,3-dihydro-1H-inden-2-yloxy)-5-nitrophenyl]propanoate
• CAS: 590417-86-0
• 化学式: C₁₉H₁₈BrNO₅
• 分子量: 420.26
• InChiKey: IIGFBJJTCFGLCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-[3-bromo-4-(indan-2-yloxy)-5-nitrophenyl]propionate 在 palladium diacetate 、 三苯基膦 甲醇 、 sodium hydroxide 、 potassium phosphate 、 水 、 氢气 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 30.58h， 生成 3-[3-amino-4-(indan-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)-phenyl]-propionic acid
  参考文献：
  名称：

  Novel crystal forms of substituted phenylalkanoic acids and process for producing the same

  摘要：

  【对象】在使用3- [3-氨基-4-（茚-2-氧基）-5-（1-甲基-1H-吲唑-5-基）苯基]丙酸，甲基3- [4-（茚-2-氧基）-3-（1-甲基-1H-吲唑-5-基）-5-硝基苯基]丙酸酯或甲基3- [3-氨基-4-（茚-2-氧基）-5-（1-甲基-1H-吲唑-5-基）苯基]丙酸酯作为药物时，提供了更可取的方面或改进的方法。 【手段】提供了3- [3-氨基-4-（茚-2-氧基）-5-（1-甲基-1H-吲唑-5-基）苯基]丙酸，甲基3- [4-（茚-2-氧基）-3-（1-甲基-1H-吲唑-5-基）-5-硝基苯基]丙酸酯和甲基3- [3-氨基-4-（茚-2-氧基）-5-（1-甲基-1H-吲唑-5-基）苯基]丙酸酯中的任何一种化合物的晶体以及制备它们的方法。

  公开号：

  US20080070967A1

文献信息

• Substituted phenylalkanoic acid derivatives and use thereof
  申请人：——

  公开号：US20040044258A1

  公开（公告）日：2004-03-04

  A compound represented by the formula (I) or a salt thereof: 1 wherein n represents an integer of 1 to 3, R represents an alkyl group having 3 to 8 carbon atoms, a group represented by the following formula: R 1 (CH 2 ) k — (wherein k represents 0 or an integer of 1 to 3; R 1 represents a saturated cyclic alkyl group having 3 to 7 carbon atoms or a saturated condensed cyclic alkyl group having 6 to 8 carbon atoms, and the group R 1 may be substituted with a lower alkyl group having 1 to 4 carbon atoms) and the like, and Ar represents a condensed bicyclic group such as naphthalen-1-yl group, which has suppressing action on prostaglandin and leukotriene production and is useful for prophylactic and/or therapeutic treatment of various inflammatory diseases and the like caused by these lipid mediators.

  化合物的化学式为（I）或其盐： 其中n表示1到3的整数，R表示具有3到8个碳原子的烷基基团，由以下化学式表示的基团：R1(CH2)k—（其中k表示0或1到3的整数；R1表示具有3到7个碳原子的饱和环烷基基团或具有6到8个碳原子的饱和紧凑环烷基基团，基团R1可以被具有1到4个碳原子的较低烷基基团取代）等，Ar表示如萘-1-基团等的紧凑双环基团，具有对前列腺素和白三烯生成的抑制作用，对由这些脂质介质引起的各种炎症性疾病等的预防和/或治疗治疗有用。
• [EN] SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF<br/>[FR] DERIVE D'ACIDE ARYLALCANOIQUE SUBSTITUE ET SON UTILISATION
  申请人：ASAHI KASEI PHARMA CORP

  公开号：WO2005016862A1

  公开（公告）日：2005-02-24

  A compound represented by the formula (I)[In the formula, Link represents a saturated or unsaturated straight hydrocarbon chain having 1 to 3 carbon atoms, C2 to C6 in the aromatic ring (E) independently represent a ring-constituting carbon atom, one of the ring-constituting carbon atoms may be replaced with V, V represents nitrogen atom, or carbon atom substituted with Zx, Zx represents a saturated alkyl group having 1 to 4 carbon atoms and the like, Rs represents -D-Rx etc., D represents a single bond, oxygen atom and the like, Rx represents a saturated alkyl group having 3 to 8 carbon atoms and the like, AR represents a partially unsaturated or completely unsaturated condensed bicyclic carbon ring or a heterocyclic ring, and Y represents hydrogen atom, a lower alkyl group having 1 to 4 carbon atoms and the like] or a salt thereof. A compound having prostaglandin production-suppressing action and leukotriene production-suppressing action is provided.

  化合物的化学式为（I）。在该式中，Link代表一个由1至3个碳原子组成的饱和或不饱和直链烃链，芳环（E）中的C2至C6独立代表构成环的碳原子，构成环的碳原子中的一个可以被V取代，V代表氮原子，或者被Zx取代的碳原子，Zx代表由1至4个碳原子组成的饱和烷基基团等，Rs代表-D-Rx等，D代表单键、氧原子等，Rx代表由3至8个碳原子组成的饱和烷基基团等，AR代表部分不饱和或完全不饱和的紧凑双环碳环或杂环，Y代表氢原子、由1至4个碳原子组成的低烷基基团等，或其盐。提供了一种具有抑制前列腺素产生和抑制白三烯产生作用的化合物。
• Substituted arylalkanoic acid derivatives and use thereof
  申请人：Shoda Motoshi

  公开号：US20070213333A1

  公开（公告）日：2007-09-13

  A compound represented by the formula (I): [In the formula, Link represents a saturated or unsaturated straight hydrocarbon chain having 1 to 3 carbon atoms, C 2 to C 6 in the aromatic ring (E) independently represent a ring-constituting carbon atom, one of the ring-constituting carbon atoms may be replaced with V, V represents nitrogen atom, or carbon atom substituted with Zx, Zx represents a saturated alkyl group having 1 to 4 carbon atoms and the like, Rs represents -D-Rx etc., D represents a single bond, oxygen atom and the like, Rx represents a saturated alkyl group having 3 to 8 carbon atoms and the like, AR represents a partially unsaturated or completely unsaturated condensed bicyclic carbon ring or a heterocyclic ring, and Y represents hydrogen atom, a lower alkyl group having 1 to 4 carbon atoms and the like] or a salt thereof. A compound having prostaglandin production-suppressing action and leukotriene production-suppressing action is provided.

  化合物的化学式为（I）：[在公式中，Link代表饱和或不饱和的直链碳氢链，其具有1至3个碳原子，C2至C6在芳环（E）中独立地表示构成环的碳原子，构成环的碳原子中的一个可以被V取代，V代表氮原子，或被Zx取代的碳原子，Zx代表饱和的烷基基团，其具有1至4个碳原子等，Rs代表-D-Rx等，D代表单键，氧原子等，Rx代表饱和的烷基基团，其具有3至8个碳原子等，AR代表部分不饱和或完全不饱和的紧凑双环碳环或杂环，Y代表氢原子，具有1至4个碳原子的低烷基基团等]或其盐。提供了一种具有前列腺素生成抑制作用和白三烯生成抑制作用的化合物。
• STABLE PHARMACEUTICAL COMPOSITION
  申请人：SUZUKI Kazumi

  公开号：US20100041725A1

  公开（公告）日：2010-02-18

  A pharmaceutical composition comprising a compound represented by the general formula (I): or a salt thereof, and a pharmaceutically acceptable carrier, wherein the composition does not substantially contain a reducing sugar and/or a carrier containing a reducing sugar as an ingredient as the pharmaceutically acceptable carrier, or when the composition contains a reducing sugar and/or a carrier containing a reducing sugar as an ingredient as the pharmaceutically acceptable carrier, contact of the reducing sugar and the compound represented by the general formula (I) or a salt thereof is eliminated.

  一种药物组合物，包括下列通式（I）所表示的化合物或其盐，以及一种药学上可接受的载体。其中，该组合物不含有可还原糖和/或含有可还原糖的载体作为药学上可接受的载体成分，或者当该组合物含有可还原糖和/或含有可还原糖的载体作为药学上可接受的载体成分时，消除了可还原糖与下列通式（I）所表示的化合物或其盐之间的接触。
• NOVEL CRYSTALS OF SUBSTITUTED PHENYLALKANOIC ACID AND METHOD OF PRODUCING THE SAME
  申请人：ARIMOTO Yuichi

  公开号：US20090312386A1

  公开（公告）日：2009-12-17

  [Object] In the case of using 3-[3-amino-4-(indan-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)phenyl]propionic acid, methyl 3-[4-(indan-2-yloxy)-3-(1-methyl-1H-indazol-5-yl)-5-nitrophenyl]propionate, or methyl 3-[3-amino-4-(indan-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)phenyl]propionate as a medicine, more preferable aspects or improved methods are provided. [Means] Crystals of any compound among 3-[3-amino-4-(indan-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)phenyl]propionic acid, methyl 3-[4-(indan-2-yloxy)-3-(1-methyl-1H-indazol-5-yl)-5-nitrophenyl]propionate, and methyl 3-[3-amino-4-(indan-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)phenyl]propionate, and methods of producing the same are provided.

  【目的】本发明提供使用3-[3-氨基-4-(茚-2-氧基)-5-(1-甲基-1H-吲唑-5-基)苯基]丙酸、甲基3-[4-(茚-2-氧基)-3-(1-甲基-1H-吲唑-5-基)-5-硝基苯基]丙酸酯或甲基3-[3-氨基-4-(茚-2-氧基)-5-(1-甲基-1H-吲唑-5-基)苯基]丙酸酯作为药物时，提供更优选的方面或改进的方法。 【手段】本发明提供3-[3-氨基-4-(茚-2-氧基)-5-(1-甲基-1H-吲唑-5-基)苯基]丙酸、甲基3-[4-(茚-2-氧基)-3-(1-甲基-1H-吲唑-5-基)-5-硝基苯基]丙酸酯和甲基3-[3-氨基-4-(茚-2-氧基)-5-(1-甲基-1H-吲唑-5-基)苯基]丙酸酯中的任何化合物的晶体以及其制备方法。