3-[(4-Methoxyphenyl)methoxy]benzoic Acid | 228707-96-8

• 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: 3-[(4-Methoxyphenyl)methoxy]benzoic Acid
• 英文别名: 3-(4-methoxybenzyloxy)benzoic acid
• CAS: 228707-96-8
• 化学式: C₁₅H₁₄O₄
• mdl: MFCD09814835
• 分子量: 258.274
• InChiKey: CMBKRJGERJTDEP-UHFFFAOYSA-N

物化性质

• 沸点：
  444.9±25.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[(4-Methoxyphenyl)methoxy]benzoic Acid 在 Burgess' reagent 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.58h， 生成 2-{3-[(4-methoxybenzyl)oxy]phenyl}-5-methyl-1,3,4-oxadiazole
  参考文献：
  名称：

  [EN] SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT
  [FR] COMPOSÉS CYCLOPROPYLIQUES SUBSTITUÉS, COMPOSITIONS CONTENANT DE TELS COMPOSÉS ET PROCÉDÉS DE TRAITEMENT

  摘要：

  公式（I）的取代环丙基化合物被披露为治疗或预防2型糖尿病及类似疾病的有效药物。还包括药用可接受的盐和溶剂化合物。这些化合物可作为G蛋白偶联受体GPR-119的激动剂。

  公开号：

  WO2009129036A1
• 作为产物：
  描述：

  3-羟基苯甲酸甲酯 在 potassium carbonate 、 potassium iodide 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 生成 3-[(4-Methoxyphenyl)methoxy]benzoic Acid
  参考文献：
  名称：

  Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model

  摘要：

  Acid sphingomyelinase (ASM) has been shown to be involved in many physiological processes, emerging to be a promising drug target. In this study, we constructed a ligand-based pharmacophore model of ASM inhibitors and applied this model to optimize the lead compound alpha-mangostin, a known inhibitor of ASM. 23 compounds were designed and evaluated in vitro for ASM inhibition, of these, 10 compounds were found to be more potent than alpha-mangostin. This high hit ratio confirmed that the presented model is very effective and practical. The most potent hit, 1c, was found to selectively and competitively inhibit the enzyme and inhibit the generation of ceramide in a dose-dependent manner. Furthermore, 1c showed favorable anti-apoptosis and anti-inflammatory activity. Interactions with key residues and the Zn2+ cofactor of 1c were found by docking simulation. These results provide promising leads and important guidance for further development of efficient ASM inhibitors and drug candidates. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.03.065

文献信息

• Methods and compounds for inhibiting mrp1
  申请人：——

  公开号：US20030100576A1

  公开（公告）日：2003-05-29

  The present invention further relates to a method of inhibiting MRP1 in a mammal which comprises administering to a mammal in need thereof an effective amount of a compound of formula (I).

  本发明还涉及一种抑制哺乳动物中MRP1的方法，包括向需要的哺乳动物施用化合物(I)的有效量。
• Heterocycles that are inhibitors of IMPDH enzyme
  申请人：——

  公开号：US20020040022A1

  公开（公告）日：2002-04-04

  Compounds of the formula 1 wherein X 1 is C(O), —S(O)—, or —S(O) 2 —; X 2 is CR 3 or N; X 3 is —NH—, —O—, or —S—; X 4 is CR 4 or N; X 5 is CR 5 or N; and X 6 is CR 6 or N are useful as inhibitors of IMPDH enzyme. Thus, these compounds can be used as therapeutic agents for IMPDH-associated disorders.

  公式1中的化合物，其中X1是C(O)、—S(O)—或—S(O)2—；X2是CR3或N；X3是—NH—、—O—或—S—；X4是CR4或N；X5是CR5或N；X6是CR6或N，可用作IMPDH酶的抑制剂。因此，这些化合物可作为治疗IMPDH相关疾病的治疗剂。
• Hypoglycemic agent
  申请人：Ajinomoto Co., Inc.

  公开号：US20030191323A1

  公开（公告）日：2003-10-09

  The present invention provides a hypoglycemic agent containing an acylsulfonamide derivative such as a compound of the following formula or an analog thereof, which agent is usable for preventing and curing diabetes: 1

  本发明提供一种含有酰磺酰胺衍生物的降糖剂，例如以下式的化合物或其类似物，该剂可用于预防和治疗糖尿病：
• Acylsulfonamide derivative
  申请人：Ajinomoto Co., Inc.

  公开号：US06555584B1

  公开（公告）日：2003-04-29

  This invention provides a novel acylsulfonamide derivative which can be used as an ACC activity inhibitor effective for the treatment of visceral fat syndrome that becomes the risk-factor of diseases of adult people such as myocardial infarction, cerebral infarction and diabetes. Particularly, it relates to an acylsulfonamide derivative represented by a general formula 1 wherein R1 is substituted/unsubstituted C2-C12 alkyl or alkoxy group or substituted/unsubstituted C2-C12 alkenyl or alkynyl group, R2 is hydrogen atom, hydroxyl group, mercapto group, substituted/unsubstituted C1-C6 alkoxy or alkylthio group, nitro group, halogen atom, trichloromethyl group, trifluoromethyl group or cyano group, R3 is substituted/unsubstituted C1-C20 alkyl or alkoxy group, substituted/unsubstituted C2-C20 alkenyl or alkynyl group, substituted/unsubstituted aromatic hydrocarbon or aromatic heterocyclic group, substituted amino group, substituted/unsubstituted C2-C20 alkenyloxy or alkynyloxy group or R4O— (wherein R4 is substituted/unsubstituted aromatic hydrocarbon or aromatic heterocyclic group), Y is —CH═CH—, —N═CH—, —CH═N—, sulfur or oxygen, and ring A is aromatic hydrocarbon, aromatic heterocyclic ring or cyclic alkyl group.

  这项发明提供了一种新型的酰磺酰胺衍生物，可用作 ACC 活性抑制剂，有效用于治疗内脏脂肪综合征，该综合征成为成年人疾病的风险因素，如心肌梗塞、脑梗塞和糖尿病。特别地，它涉及一种由通式 1 表示的酰磺酰胺衍生物，其中 R1 是取代/未取代的 C2-C12 烷基或烷氧基或取代/未取代的 C2-C12 烯基或炔基，R2 是氢原子、羟基、巯基、取代/未取代的 C1-C6 烷氧基或烷硫基、硝基、卤原子、三氯甲基基团、三氟甲基基团或氰基，R3 是取代/未取代的 C1-C20 烷基或烷氧基、取代/未取代的 C2-C20 烯基或炔基、取代/未取代的芳香烃或芳香杂环基、取代氨基、取代/未取代的 C2-C20 烯氧基或炔氧基或 R4O—（其中 R4 是取代/未取代的芳香烃或芳香杂环基），Y 是—CH═CH—、—N═CH—、—CH═N—、硫或氧，环 A 是芳香烃、芳香杂环环或环状烷基。
• [EN] METHODS AND COMPOUNDS FOR INHIBITING MRP1<br/>[FR] METHODES ET COMPOSES DESTINES A INHIBER MRP1
  申请人：LILLY CO ELI

  公开号：WO2001046199A1

  公开（公告）日：2001-06-28

  The present invention further relates to a method of inhibiting MRP1 in a mammal which comprises administering to a mammal in need thereof an effective amount of a compound of formula (I).

  本发明还涉及一种抑制哺乳动物中MRP1的方法，该方法包括向需要该方法的哺乳动物施用式(I)化合物的有效量。