3-(2-羟乙基)苯甲酸甲酯 | 153599-45-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(2-羟乙基)苯甲酸甲酯
• 英文名称: methyl 3-(2-hydroxyethyl)benzoate
• CAS: 153599-45-2
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: RJEWIMDQAGWVGW-UHFFFAOYSA-N

物化性质

• 沸点：
  303.9±25.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  3-(2-羟乙基)苯甲酸甲酯 在 sodium hydroxide 、 sodium tetrahydroborate 、 四溴化碳 、 sodium hydride 、 三苯基膦 、 sodium iodide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-benzoic acid
  参考文献：
  名称：

  AMP Deaminase Inhibitors. 3. SAR of 3-(Carboxyarylalkyl)coformycin Aglycon Analogues

  摘要：

  N3-Substituted coformycin aglycon analogues with improved AMP deaminase (AMPDA) inhibitory potency are described. Replacement of the 5-carboxypentyl substituent in the lead AMPDA inhibitor 3-(5-carboxypentyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (2) described in the previous article with various carboxyarylalkyl groups resulted in compounds with 10-100-fold improved AMPDA inhibitory potencies. The optimal N3 substituent had m-carboxyphenyl with a two-carbon alkyl tether. For example, 3-[2-(3-carboxy-5-ethylphenyl)-ethyl]-3,6,7,8-tetrahydroimidazo[4,5-d] [1,3]diazepin-8-ol (43g) inhibited human AMPDA with a K-i = 0.06 mu M. The compounds within the series also exhibited >1000-fold specificity for AMPDA relative to adenosine deaminase.

  DOI：

  10.1021/jm990448e
• 作为产物：
  描述：

  3-乙烯苯甲酸甲酯 在 三丁基乙烯基锡 、 9-硼双环[3.3.1]壬烷 、 双氧水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 17.0h， 以9 g的产率得到3-(2-羟乙基)苯甲酸甲酯
  参考文献：
  名称：

  PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST

  摘要：

  公开号：

  EP3190113B1

文献信息

• [EN] INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS À TITRE D'INHIBITEURS
  申请人：AZERIA THERAPEUTICS LTD

  公开号：WO2020212697A1

  公开（公告）日：2020-10-22

  The present invention relates to compounds of Formula (I) that function as inhibitors of serum and glucocorticoid regulated kinase (SGK) activity: Formula (I) wherein X1, X2, Y1, Y2, Y3, Y4, R2, R3, Y and Z are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which SGK activity is implicated.

  本发明涉及作为血清和糖皮质激素调节激酶（SGK）活性抑制剂的化合物的公式（I）：公式（I）其中X1、X2、Y1、Y2、Y3、Y4、R2、R3、Y和Z分别如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增殖性疾病（如癌症）以及其他涉及SGK活性的疾病或症状中的用途。
• [EN] TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES TRICYCLIQUES OU SELS PHARMACEUTIQUEMENT ACCEPTABLES DE CES DERIVES, LEURS PREPARATIONS ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：JE IL PHARMACEUTICAL CO LTD

  公开号：WO2004113281A1

  公开（公告）日：2004-12-29

  The present invention relates to tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. More precisely, the present invention relates to tricyclic derivatives as colchicine derivatives, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. Tricyclic derivatives of the present invention show very powerful cytotoxicity to cancer cell lines but were much less toxic than colchicine or taxol, confirmed through animal toxicity test. Tricyclic derivatives of the invention also decrease the volume and weight of a tumor and have a strong angiogenesis inhibiting activity in HUVEC cells. Thus, tricyclic derivatives of the present invention can effectively be used as an anticancer agent, anti-proliferation agent and an angiogenesis inhibitor.

  本发明涉及三环衍生物或其药用盐，其制备以及含有它们的药物组合物。更准确地说，本发明涉及三环衍生物作为秋水仙碱衍生物，其药用盐，其制备以及含有它们的药物组合物。本发明的三环衍生物对癌细胞系表现出非常强大的细胞毒性，但比秋水仙碱或紫杉醇毒性要小得多，经动物毒性试验证实。本发明的三环衍生物还可以减小肿瘤的体积和重量，并且在HUVEC细胞中具有强大的抑制血管生成活性。因此，本发明的三环衍生物可以有效地用作抗癌剂、抗增殖剂和血管生成抑制剂。
• 一种间氰甲基苯甲酸甲酯的制备方法
  申请人：上海微巨实业有限公司

  公开号：CN106928092B

  公开（公告）日：2019-02-15

  本发明公开了一种间氰甲基苯甲酸甲酯的制备方法，以间溴苯甲酸为起始原料，经酯化制备得到间溴甲基苯甲酸甲酯；经格氏反应制备得到间甲氧甲酰基苯乙醇；经氧化制备得到间甲氧甲酰基苯乙酸；经酰胺化、脱水最终制备得到间氰甲基苯甲酸甲酯；本发明的制备方法=设计巧妙，路线新颖；所用原料价格便宜易得，工艺简单易行；收率高，所得最终产品纯度高，质量好；无危险工艺，避开了传统合成中用到的剧毒物质氰化物以及昂贵的氰化试剂；对设备需求简单，降低生产难度和生产成本投入；有利于实现工业化生产，经济效益好。
• 8-Oxoadenine Compound
  申请人：Ogita Haruhisa

  公开号：US20070225303A1

  公开（公告）日：2007-09-27

  An 8-oxoadenine compound useful as an immuno-modulator having specific activity against Th1/Th2, specifically a prophylactic and therapeutic agent for a topical application for allergic diseases, viral diseases and cancers, which is represented by the following formula (1): wherein A is a group of a formula represented by the formula (2): wherein R 2 is a substituted or unsubstituted alkyl group and so on, R 3 is hydrogen atom or an alkyl group, R is a halogen atom and so on, n is 0˜2, X 1 is oxygen atom, Z is straight or branched chain alkylene, and R 1 is an alkyl group which is optionally substituted by hydroxy group, an alkoxy group, alkoxycarbonyl group and so on, or its pharmaceutically acceptable salt.

  一种8-氧腺嘌呤化合物，可用作免疫调节剂，对Th1 / Th2具有特定活性，特别是用于过敏性疾病，病毒性疾病和癌症的局部应用的预防和治疗剂，其化学式（1）如下：其中A是由式（2）表示的式的基团：其中R2是取代或未取代的烷基基团等，R3是氢原子或烷基基团，R是卤素原子等，n为0〜2，X1为氧原子，Z为直链或支链烷基，R1为烷基基团，可选地由羟基基团，烷氧基基团，烷氧羰基基团等取代，或其药学上可接受的盐。
• Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them
  申请人：Kim Myung-Hwa

  公开号：US20070179143A1

  公开（公告）日：2007-08-02

  The present invention relates to tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. More precisely, the present invention relates to tricyclic derivatives as colchicine derivatives, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them. Tricyclic derivatives of the present invention show very powerful cytotoxicity to cancer cell lines but were much less toxic than colchicine or taxol, confirmed through animal toxicity test. Tricyclic derivatives of the invention also decrease the volume and weight of a tumor and have a strong angiogenesis inhibiting activity in HUVEC cells. Thus, tricyclic derivatives of the present invention can effectively be used as an anticancer agent, anti-proliferation agent and an angiogenesis inhibitor.

  本发明涉及三环衍生物或其药学上可接受的盐、它们的制备方法以及含有它们的制药组合物。更具体地说，本发明涉及三环衍生物作为秋水仙素衍生物，药学上可接受的盐、它们的制备方法以及含有它们的制药组合物。本发明的三环衍生物对癌细胞株表现出非常强大的细胞毒性，但毒性比秋水仙素或紫杉醇要小得多，经动物毒性测试证实。本发明的三环衍生物还可以减少肿瘤的体积和重量，并在HUVEC细胞中表现出强大的抑制血管生成的活性。因此，本发明的三环衍生物可以有效地用作抗癌剂、抗增殖剂和抑制血管生成剂。