2-chloro-[1]naphthoic acid methyl ester | 16650-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-chloro-[1]naphthoic acid methyl ester
• 英文别名: 2-Chlor-[1]naphthoesaeure-methylester；2-Chlor-1-naphthoesaeure-methylester；Methyl 2-chloro-1-naphthoate；methyl 2-chloronaphthalene-1-carboxylate
• CAS: 16650-61-6
• 化学式: C₁₂H₉ClO₂
• 分子量: 220.655
• InChiKey: UNAJIEWZUFRWBW-UHFFFAOYSA-N

物化性质

• 沸点：
  337.4±15.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为产物：
  描述：

  碘甲烷 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-chloro-[1]naphthoic acid methyl ester
  参考文献：
  名称：

  Rabe, Chemische Berichte, 1889, vol. 22, p. 394

  摘要：

  DOI：

文献信息

• COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF
  申请人：Hefei Industrial Pharmaceutical Institute Co., Ltd

  公开号：EP3708568A1

  公开（公告）日：2020-09-16

  The disclosure relates to the field of medicinal chemistry, in particular, to a class of small molecule compounds for inhibiting phosphodiesterase 4 (I), a preparation method thereof and a pharmaceutical composition comprising the compound. The pharmacodynamic test proves that the compound of the disclosure has the inhibitory activity of PDE-4 enzyme and the efficacy of inflammation treatment.

  本公开涉及药物化学领域，尤其涉及一类抑制磷酸二酯酶4(I)的小分子化合物、其制备方法以及包含该化合物的药物组合物。药效学试验证明，本公开的化合物具有抑制 PDE-4 酶的活性和治疗炎症的疗效。
• Compound having effects of inhibiting phosphodiesterase 4, preparation method thereof and pharmaceutical use thereof
  申请人：Hefei Industrial Pharmaceutical Institute Co., Ltd.

  公开号：US11161860B2

  公开（公告）日：2021-11-02

  The disclosure relates to the field of medicinal chemistry, in particular, to a class of small molecule compounds for inhibiting phosphodiesterase 4 (I), a preparation method thereof and a pharmaceutical composition comprising the compound. The pharmacodynamic test proves that the compound of the disclosure has the inhibitory activity of PDE-4 enzyme and the efficacy of inflammation treatment.

  本公开涉及药物化学领域，尤其涉及一类抑制磷酸二酯酶4(I)的小分子化合物、其制备方法以及包含该化合物的药物组合物。药效学试验证明，本公开的化合物具有抑制 PDE-4 酶的活性和治疗炎症的疗效。
• 75. Remarks on the structure of naphthalene
  作者：Ernst Bergmann、Jehuda Hirshberg

  DOI：10.1039/jr9360000331

  日期：——
• COMPOUND HAVING EFFECTS OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF
  申请人：Hefei Industrial Pharmaceutical Institute Co., Ltd.

  公开号：US20210179640A1

  公开（公告）日：2021-06-17

  The disclosure relates to the field of medicinal chemistry, in particular, to a class of small molecule compounds for inhibiting phosphodiesterase 4 (I), a preparation method thereof and a pharmaceutical composition comprising the compound. The pharmacodynamic test proves that the compound of the disclosure has the inhibitory activity of PDE-4 enzyme and the efficacy of inflammation treatment.