7-羟基-2-萘甲酸 | 613-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-羟基-2-萘甲酸
• 英文名称: 7-hydroxynaphthalene-2-carboxylic acid
• 英文别名: 7-hydroxy-2-naphthoic acid；3-carboxy-6-naphthol；7-hydroxy-[2]naphthoic acid；7-Hydroxy-[2]naphthoesaeure；7-Oxy-naphthalin-carbonsaeure-(2)；7-hydroxy-2-naphthalenecarboxylic acid
• CAS: 613-17-2
• 化学式: C₁₁H₈O₃
• 分子量: 188.183
• InChiKey: FSXKKRVQMPPAMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  268-269 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  407.0±20.0 °C(Predicted)
• 密度：
  1.399±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918290000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  7-羟基-2-萘甲酸 生成 7-methoxy-2-naphthoic acid
  参考文献：
  名称：

  Adcock,W.; Wells,P.R., Australian Journal of Chemistry, 1965, vol. 18, p. 1351 - 1364

  摘要：

  DOI：
• 作为产物：
  描述：

  7-羟基-2-萘甲腈 在 氢氧化钾 作用下， 生成 7-羟基-2-萘甲酸
  参考文献：
  名称：

  4-和5-正烷氧基-1-萘甲酸和6-和7-正烷氧基-2-萘甲酸的制备

  摘要：

  DOI：

  10.1039/jr9540000678

文献信息

• [EN] AMIDE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS<br/>[FR] DERIVES D'AMIDE EN TANT QU'INHIBITEURS SELECTIFS DU RECAPTAGE DE LA SEROTONINE
  申请人：PFIZER LTD

  公开号：WO2004111003A1

  公开（公告）日：2004-12-23

  The present invention relates to compounds of formula (I), wherein R1 is selected from: (a) (C1-C6)alkyl, optionally substituted by 1-3 substituents, each independently selected from: (i) CF3, OH, (C1-C6)alkyl, (C3-C6)cycloalkyl, (C1-C6)alkoxy and halo; (ii) Phenyl, optionally fused with phenyl or cyclohexyl, said phenyl or fused phenyl optionally substituted with 1-3 groups selected from (C1-C6)alkyl, (C1-C6)alkyl ester, OH and halo; and (b) (C3-C6)cycloalkyl, optionally fused with (C5-C7)cycloalkyl, said cycloalkyl or fused cycloalkyl optionally substituted by OH, (C1-C6)alkyl, (C1-C6)alkoxy and halo. R2 is Phenyl, optionally fused to (C4-C6)cycloalkyl, phenyl or pyridyl, said phenyl or fused phenyl moiety optionally substituted with 1-3 groups each independently selected from (C1-C6)alkyl, (C1-C6)alkoxy, halo and OH. n is 1 to 2 and pharmaceutically acceptable salts, solvates or polymorphs thereof; With the proviso that when n is 2 and R1 is 2-(3,4-dimethoxylphenyl)-1-ethyl, 3,3­diphemyl-1-propyl or 2,4-difluorophenyl, then R2 cannot be 4-trifluoromethoxyphenyl, 2,4,6-trimethoxyphenyl, 4-acetoxyphenyl or 2,4-difluorophenyl; which are a class of selective serotonin re-uptake inhibitors (SSRIs).

  本发明涉及式(I)的化合物，其中R1从以下选项中选择：(a) (C1-C6)烷基，可选地被1-3个取代基取代，每个取代基独立地从以下选项中选择：(i) CF3，OH，(C1-C6)烷基，(C3-C6)环烷基，(C1-C6)烷氧基和卤素；(ii) 苯基，可选地与苯基或环己基融合，所述苯基或融合苯基可选地被1-3个取代基取代，所述取代基独立地从(C1-C6)烷基，(C1-C6)烷基酯，OH和卤素中选择；和(b) (C3-C6)环烷基，可选地与(C5-C7)环烷基融合，所述环烷基或融合环烷基可选地被OH，(C1-C6)烷基，(C1-C6)烷氧基和卤素取代。R2为苯基，可选地融合到(C4-C6)环烷基，苯基或吡啶基，所述苯基或融合苯基基团可选地被1-3个取代基取代，每个取代基独立地从(C1-C6)烷基，(C1-C6)烷氧基，卤素和OH中选择。n为1至2，以及其药学上可接受的盐、溶剂化合物或多形体；但是当n为2且R1为2-(3,4-二甲氧基苯基)-1-乙基，3,3-二苯基-1-丙基或2,4-二氟苯基时，R2不能为4-三氟甲氧基苯基，2,4,6-三甲氧基苯基，4-乙酰氧基苯基或2,4-二氟苯基；这些是一类选择性5-羟色胺再摄取抑制剂（SSRIs）。
• Azabicyclic compounds for the treatment of disease
  申请人：——

  公开号：US20030236270A1

  公开（公告）日：2003-12-25

  The invention provides compounds of Formula I: 1 wherein Azabicyclo is 2 W is a six-membered heterocyclic ring system having 1-2 nitrogen atoms or a 10-membered bicyclic-six-six-fused-ring system having up to two nitrogen atoms within either or both rings, provided that no nitrogen is at a bridge of the bicyclic-six-six-fused-ring system, and further having 1-2 substitutents independently selected from R 3 . These compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful in pharmaceuticals to treat diseases or conditions in which &agr;7 is known to be involved.

  本发明提供了式I的化合物： 1 其中Azabicyclo是 2 W是一个六元杂环体系，具有1-2个氮原子，或一个10元双环六六并环体系，在任一或两个环中最多有两个氮原子，前提是该双环六六并环体系的桥上没有氮原子，并且还具有1-2个独立选自R 3 的取代基。 这些化合物可以是药物盐或组合物，可以是纯净的对映异构体形式或外消旋混合物，并且在制药中用于治疗那些已知涉及α7的疾病或状况。
• Investigation of the Substrate Range of CYP199A4: Modification of the Partition between Hydroxylation and Desaturation Activities by Substrate and Protein Engineering
  作者：Stephen G. Bell、Ruimin Zhou、Wen Yang、Adrian B. H. Tan、Alexander S. Gentleman、Luet-Lok Wong、Weihong Zhou

  DOI：10.1002/chem.201202776

  日期：2012.12.21

  enzyme CYP199A4, from Rhodopseudomonas palustris HaA2, can efficiently demethylate 4‐methoxybenzoic acid. It is also capable of oxidising a range of other related substrates. By investigating substrates with different substituents and ring systems we have been able to show that the carboxylate group and the nature of the ring system and the substituent are all important for optimal substrate binding

  细胞色素P450酶CYP199A4，来自Phodopseudomonas palustrisHaA2可以有效地使4-甲氧基苯甲酸去甲基化。它还能够氧化多种其他相关的底物。通过研究具有不同取代基和环系统的底物，我们已经能够证明羧酸酯基团以及环系统和取代基的性质对于优化底物结合和活性都至关重要。藜芦酸，2-萘甲酸和吲哚-6-羧酸底物结合的CYP199A4复合物的结构揭示了底物的结合模式和活性位点残基的侧链构象变化，以适应这些较大的底物。它们还为产物氧化的选择性提供了理论依据。CYP199A4对烷基取代的苯甲酸的氧化更复杂，去饱和反应与羟基化活性竞争。β Ç 乙基的H键更靠近血红素铁比作为C α（3.5对4.8）。当与反应中间体的相对能量耦合时，该观察结果表明烷基相对于血红素铁的定位对于确定所观察到的去饱和量可能是至关重要的。通过突变CYP199A4（Phe185）活性位点中的单个残基，我们能够将该酶转化为4-乙基苯甲酸去饱和酶。
• A Novel Series of Highly Potent Small Molecule Inhibitors of Rhinovirus Replication
  作者：Jinwoo Kim、Yu Kyoung Jung、Chonsaeng Kim、Jin Soo Shin、Els Scheers、Joo-Youn Lee、Soo Bong Han、Chong-Kyo Lee、Johan Neyts、Jae-Du Ha、Young-Sik Jung

  DOI：10.1021/acs.jmedchem.7b00175

  日期：2017.7.13

  associated with the exacerbation of asthma. The wide variety in hRV serotypes has complicated the development of rhinovirus replication inhibitors. In the current investigation, we developed a novel series of benzothiophene derivatives and their analogues (6–8) that potently inhibit the replication of both hRV-A and hRV-B strains. Compound 6g inhibited the replication of hRV-B14, A21, and A71, with respective

  人鼻病毒（hRVs）是普通感冒的主要致病菌，与哮喘的发作有关。hRV血清型的多样性使鼻病毒复制抑制剂的开发复杂化。在目前的调查，我们开发了一种新的苯并噻吩系列的衍生物和它们的类似物（的6 - 8），其有效地抑制HRV二者-A和HRV-B菌株的复制。化合物6g抑制hRV-B14，A21和A71的复制，其EC 50值分别为0.083、0.078和0.015μM 。针对hRV-B14和hRV-A16的加法研究结果以及对hRV-B14的抗性突变分析表明6g在病毒复制过程的早期阶段起作用，与病毒衣壳蛋白相互作用。一项分子对接研究表明6g的衣壳结合模式与plEConaril类似。最后，6的衍生物还显示出对脊髓灰质炎病毒3（PV3）复制的显着抑制作用，表明它们对其他肠道病毒物种的潜在抑制活性。
• Piperidine derivatives having renin inhibiting activity
  申请人：Hoffmann-La Roche Inc.

  公开号：US06051712A1

  公开（公告）日：2000-04-18

  Novel piperidine derivatives, their manufacture and use as medicaments, are disclosed. The invention is concerned with the novel piperidine derivatives of general formula I ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, Q, X, Z, m and n are as described herein.

  揭示了一种新的哌啶衍生物的制备和用途作为药物。该发明涉及一般式I的新的哌啶衍生物 ##STR1## 其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、Q、X、Z、m和n如本文所述。