methyl (2-hydroxymethylphenyl)acetate | 63969-91-5

• 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 (2-hydroxymethylphenyl)acetate
• 英文别名: Methyl 2-(2-(hydroxymethyl)phenyl)acetate；methyl 2-[2-(hydroxymethyl)phenyl]acetate
• CAS: 63969-91-5
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: CABLPTSHYXGKJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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

反应信息

• 作为反应物：
  描述：

  methyl (2-hydroxymethylphenyl)acetate 在 盐酸 、 六甲基磷酰三胺 、 lithium aluminium tetrahydride 、 lithium cyclohexylisopropylamide 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 3-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-1-propanol
  参考文献：
  名称：

  Versteeg, Marietjie; Bezuidenhoudt, Barend C. B.; Ferreira, Daneel, Heterocycles, 1993, vol. 36, # 8, p. 1743 - 1746

  摘要：

  DOI：
• 作为产物：
  描述：

  邻羧基苯乙酸 在 氯化亚砜 、 硼烷 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 methyl (2-hydroxymethylphenyl)acetate
  参考文献：
  名称：

  Synthesis and structure activity relationships of novel non-peptidic metallo-aminopeptidase inhibitors

  摘要：

  Racemic derivatives of 3-amino-2-tetralone were synthesised and evaluated for their ability to inhibit metallo-aminopeptidase activities. New compounds substituted in position 2 by methyl ketone, substituted oximes or hydroxamic acids as well as heterocyclic derivatives were evaluated against representative members of zinc-dependent aminopeptidases: leucine aminopeptidase (E.C. 3.4.11.1), aminopeptidase-N(E.C. 3.4.11.2), Aeronumas proteolytica aminopeptidase (E.C. 3.4.11.10), and the aminopeptidase activity of leukotriene A(4) hydrolase (E.C. 3.3.2.6). Several compounds showed K-i values in the low micromolar range against the 'one-zinc' aminopeptidases, while most of them were rather poor inhibitors of the 'two-zinc' enzymes. This interesting selectivity profile may guide the design of new, specific inhibitors of target mammalian aminopeptidases with one active site zinc. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.06.050

文献信息

• METHODS FOR TREATING VASCULAR LEAK SYNDROME
  申请人：Shalwitz Robert

  公开号：US20140179693A1

  公开（公告）日：2014-06-26

  Disclosed are methods for treating Vascular Leak Syndrome. Further disclosed are methods for treating vascular leakage due to inflammatory diseases, inter alia, sepsis, lupus, inflammatory bowel disease. Yet further disclosed are methods for treating renal cell carcinoma and melanoma. Still further disclosed are methods for reducing metastasis of malignant cells and/or preventing the proliferation of carcinoma cells via spreading due to vascular leakage.

  揭示了治疗血管渗漏综合征的方法。进一步揭示了治疗由炎症性疾病引起的血管渗漏的方法，包括败血症、红斑狼疮、炎症性肠病等。还揭示了治疗肾细胞癌和黑色素瘤的方法。更进一步揭示了通过血管渗漏引起的恶性细胞转移的方法，以及预防癌细胞通过扩散而蔓延的方法。
• Organic compounds
  申请人：Novartis AG

  公开号：US08084448B2

  公开（公告）日：2011-12-27

  Compounds of the formula are inhibitors of protein tyrosine phosphatases (PTPases) and, thus, may be employed for the treatment of conditions mediated by PTPase activity. The compounds of the present invention may also be employed as inhibitors of other enzymes characterized with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula (I) may be employed for prevention and/or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels, conditions that accompany type-2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat and/or prevent cancer, osteoporosis, musculoskeletal, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式为的化合物是蛋白酪氨酸磷酸酶（PTPase）的抑制剂，因此可用于治疗PTPase活性介导的疾病。本发明的化合物也可用作其他酶的抑制剂，这些酶具有磷酸酪氨酸结合区域，如SH2结构域。因此，公式（I）的化合物可用于预防和/或治疗与肥胖、葡萄糖耐受性、糖尿病、高血压和大、小血管缺血性疾病相关的胰岛素抵抗，以及伴随2型糖尿病的情况，包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤、脂质代谢异常和其他表现为胰岛素抵抗的疾病。此外，本发明的化合物可用于治疗和/或预防癌症、骨质疏松症、肌肉骨骼、神经退行性和传染性疾病，以及涉及炎症和免疫系统的疾病。
• COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS
  申请人：Shalwitz Robert

  公开号：US20120128625A1

  公开（公告）日：2012-05-24

  Disclosed are methods for preventing metastasis of cancer cells. The disclosed compounds can be used to prevent the spread of tumor or other types of cancer cells.

  本发明揭示了预防癌细胞转移的方法。所揭示的化合物可用于预防肿瘤或其他类型的癌细胞扩散。
• COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES
  申请人：Peters Kevin Gene

  公开号：US20120129847A1

  公开（公告）日：2012-05-24

  Disclosed are methods for the treatment of diseases or conditions of the eye, especially retinopathies, ocular edema and ocular neovascularization. Non-limiting examples of these diseases or conditions include diabetic macular edema, age-related macular degeneration (wet form), choroidal neovascularization, diabetic retinopathy, retinal vein occlusion (central or branch), ocular trauma, surgery induced edema, surgery induced neovascularization, cystoid macular edema, ocular ischemia, uveitis, and the like.

  本发明公开了治疗眼部疾病或病症的方法，特别是视网膜病变、眼部水肿和眼部新生血管形成。这些疾病或病症的非限制性示例包括糖尿病性黄斑水肿、老年性黄斑变性（湿性）、脉络膜新生血管形成、糖尿病性视网膜病变、视网膜静脉阻塞（中央或分支）、眼部创伤、手术引起的水肿、手术引起的新生血管形成、囊样黄斑水肿、眼部缺血、葡萄膜炎等。
• COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES
  申请人：Aerpio Therapeutics Inc.

  公开号：US20150050277A1

  公开（公告）日：2015-02-19

  Disclosed herein are compositions and methods for treating ocular diseases, inter alia, diabetic macular edema, age-related macular degeneration (wet form), choroidal neovascularization, diabetic retinopathy, retinal vein occlusion (central or branch), ocular trauma, surgery induced edema, surgery induced neovascularization, cystoid macular edema, ocular ischemia, uveitis, and the like. These diseases or conditions are characterized by changes in the ocular vasculature whether progressive or non-progressive, whether a result of an acute disease or condition, or a chronic disease or condition.

  本文揭示了治疗眼部疾病的组合物和方法，包括糖尿病性黄斑水肿、老年性黄斑变性（湿型）、脉络膜新生血管、糖尿病视网膜病变、视网膜静脉阻塞（中心或分支）、眼部创伤、手术引起的水肿、手术引起的新生血管、囊样黄斑水肿、眼部缺血、葡萄膜炎等等。这些疾病或症状的特点是眼部血管的变化，无论是进行性还是非进行性，无论是急性疾病或症状的结果，还是慢性疾病或症状。