4-氨基-2-乙氧基苯甲酸 | 59-07-4

• 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: 4-氨基-2-乙氧基苯甲酸
• 英文名称: 2-ethoxy-4-aminobenzoic acid
• 英文别名: 4-amino-2-ethoxybenzoic acid；2-Ethoxy-4-amino-benzoesaeure；2-Aethoxy-4-amino-benzoesaeure
• CAS: 59-07-4
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: FHMHTWLZOLQIFY-UHFFFAOYSA-N

物化性质

• 沸点：
  371.9±27.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)
• 熔点：
  150-151 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氨基-2-乙氧基苯甲酸 在 盐酸 、 氯化亚砜 、 三乙胺 、 sodium nitrite 作用下， 以 辛醇 、 二氯甲烷 、 水 为溶剂， 反应 11.0h， 生成 N-(2-amino-4,5-dichlorophenyl)-2-ethoxy-4-cyanobenzamide
  参考文献：
  名称：

  Synthesis of photoactivable inhibitors of osteoclast vacuolar ATPase

  摘要：

  Amides of (2Z,4E)-5-[(5,6-dichloroindol-2-yl)]-2-methoxy-N-[3-[4-[3-(carboxymethoxy)phenyl)] piperazin-1-yl]propyl]-2,4-pentadienamide (1) and of 5-(5,6-dichloro-2-indolyl)-2-methoxy-2,4-pentadienoic acid (2) are strong inhibitors of the vacuolar ATPase located on the plasma membrane of osteoclasts. In order to understand which V-ATPase subunit is involved in the interaction with these novel inhibitors, analogues containing a photoactivable group and an iodine atom were designed. A series of alcohols or amines containing the photoactivable trifluoroaziridinophenyl or benzophenone moiety and an iodine atom were linked to the above acids via an ester or amide group. These compounds could be thereafter used as a radioactive photoprobe to label the protein. Whereas the compounds containing the photoactivable groups maintained good inhibitory activity, the introduction of the bulky iodine atom was generally detrimental, decreasing potency significantly. Better results were obtained by linking. 3-(4-amino-piperidinomethyl)-3'-iodobenzophenone to 3-ethoxy-4-(2-(5,6-dichlorobenzimidazolyl))benzoic acid to give the corresponding amide 27, that inhibited vacuolar ATP-ase with a IC50 = 140 nM. The feasibility of introducing a radioactive 1211 atom,was ascertained by exchanging the iodine with a tributylstannyl group, that was again substituted by iodine. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00106-8
• 作为产物：
  描述：

  2-乙氧基-4-硝基苯甲酸 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以88%的产率得到4-氨基-2-乙氧基苯甲酸
  参考文献：
  名称：

  4,4,5,5, Tetrasubstituted imidazolines

  摘要：

  提供了一种公式I的化合物以及其药用可接受的盐和酯，其中X1，X2，R1，R2，R3，R4，R5和R6如本文所述。这些化合物作为抗癌药物表现活性。

  公开号：

  US20070129416A1

文献信息

• Cis-imidazolines
  申请人：Fotouhi Nader

  公开号：US20060211693A1

  公开（公告）日：2006-09-21

  There are presented compounds of the formula or pharmaceutically acceptable salts thereof, wherein Y 1 , Y 2 , X 1 , X 2 , X 3 and R are as described in this application. These compounds are believed to inhibit MDM2-p53 interaction and as such the compounds will have anti-hyperproliferative cellular activity.

  提供了以下公式化合物或其药用可接受的盐， 其中Y1、Y2、X1、X2、X3和R如本申请所述。据信这些化合物能够抑制MDM2-p53相互作用，因此这些化合物将具有抗高增殖细胞活性。
• [EN] MODIFIED PROTEINS AND PROTEIN DEGRADERS<br/>[FR] PROTÉINES MODIFIÉES ET AGENTS DE DÉGRADATION DE PROTÉINES
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2021239117A1

  公开（公告）日：2021-12-02

  Provided herein are compounds, pharmaceutical compositions, and methods for binding or degrading target proteins. Further provided herein are compounds having a DNA damage-binding protein 1 (DDB1) binding moiety. Some such embodiments include a linker. Some such embodiments include a target protein binding moiety. Further provided herein are ligand-DDB1 complexes. Further provided herein are in vivo modified DDB1 proteins.

  本文提供了结合或降解靶蛋白的化合物、药物组合物和方法。本文还提供了具有DNA损伤结合蛋白1（DDB1）结合基团的化合物。其中一些实施例包括连接物。其中一些实施例包括靶蛋白结合基团。本文还提供了配体-DDB1复合物。本文还提供了体内修饰的DDB1蛋白。
• [EN] NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS<br/>[FR] NOUVEAUX COMPOSES DE METHOXYBENZAMIDE DESTINES A ETRE UTILISES DANS LE TRAITEMENT DES TROUBLES LIES AU RECEPTEUR DE MCH
  申请人：7TM PHARMA AS

  公开号：WO2003087045A1

  公开（公告）日：2003-10-23

  Novel compounds of Formula (I) which modulate MCH activity are disclosed, in which A is a linker; Ar1 is an aryl or heteroaryl group; R1 is a lower alkoxy group; R2 is an R1 group or hydrogen, an OH or an NH2 group, Q together with the carbonyl forms an amide group, which is further substituted with an amine group; R5 is selected from hydrogen, halogen atoms, alkoxy groups, hydroxy, alkylamino groups, dialkylamino groups, hydroxylalkyl groups, carboxamido groups, acylamido groups, acyl groups, -CHO, nitrile, alkyl, alkenyl or alkynyl groups, -SCH3, partially or fully fluorinated alkyl, alkoxy or thioalkoxy groups such as -CH2CF3, -CF2CF3, -CF3, -OCF3, -SCF3; -SO2NH2, -SO2NHAlk, -SO2NAlk2, -SO2Alk; X is H, F, Cl, Br, I, -SCH3, -CF3, -OCF3, -SCF3, OCH3, or lower alkyl or alkenyl group; R8 is halogen atoms, alkyl, alkenyl or alkynyl groups, cycloalkyl groups, aryl groups, heteroaryl groups, heterocyclyl groups, alkylcycloalkyl groups, alkylaryl groups, alkylheterocyclyl groups, alkylheteroaryl groups, arylalkoxy groups, aryloxy groups, alkoxy groups, dialkylamino groups, -CONHAlk, -CONHAr, -CONAlk2, -NHCO-Alk, -NHCO-Ar, -CO-Alk, -CO-Ar, -SCH3, partially or fully fluorinated alkyl, alkoxy or thioalkoxy groups; or R8 is R6-Ar2-B-, in which B is a single bond or a connecting moiety; Ar2 is an Ar1 group; R6 is an R5 group; and which are useful in the treatment or prevention of e.g. obesity, depression, diabetes, bulimia etc.

  化合物的新颖化合物的公式（I），其调节MCH活性，其中A是连接剂；Ar1是芳基或杂芳基；R1是较低的烷氧基团；R2是R1基团或氢，OH或NH2基团，Q与羰基一起形成酰胺基团，该基团进一步被氨基团取代；R5从氢，卤素原子，烷氧基团，羟基，烷基氨基团，二烷基氨基团，羟基烷基基团，羧酰胺基团，酰胺基团，酰基，-CHO，腈，烷基，烯基或炔基团，-SCH3，部分或完全氟化的烷基，烷氧基或硫代烷氧基团，如-CH2CF3，-CF2CF3，-CF3，-OCF3，-SCF3；-SO2NH2，-SO2NHAlk，-SO2NAlk2，-SO2Alk；X是H，F，Cl，Br，I，-SCH3，-CF3，-OCF3，-SCF3，OCH3，或较低的烷基或烯基基团；R8是卤素原子，烷基，烯基或炔基团，环烷基团，芳基，杂芳基，杂环烷基团，烷基环烷基团，烷基芳基团，烷基杂环烷基团，烷基杂芳基团，芳基烷氧基团，芳氧基团，烷氧基团，二烷基氨基团，-CONHAlk，-CONHAr，-CONAlk2，-NHCO-Alk，-NHCO-Ar，-CO-Alk，-CO-Ar，-SCH3，部分或完全氟化的烷基，烷氧基或硫代烷氧基团；或R8是R6-Ar2-B-，其中B是单键或连接基；Ar2是Ar1基团；R6是R5基团；在治疗或预防肥胖，抑郁症，糖尿病，暴食症等方面是有用的。
• New compounds
  申请人：Zahn Stephan Karl

  公开号：US20090163467A1

  公开（公告）日：2009-06-25

  The present invention encompasses compounds of general formula (1) wherein R 1 , R 2 , R 4 , X, m, n and p are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use for preparing a pharmaceutical composition having the above-mentioned properties.

  本发明涵盖了一般式（1）的化合物 其中 R 1 ，R 2 ，R 4 ，X，m，n和p的定义如权利要求书中所述 ，适用于治疗以细胞过度或异常增殖为特征的疾病，并且用于制备具有上述特性的药物组合物。
• Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field
  申请人：Naccari Giancarlo

  公开号：US20090118357A1

  公开（公告）日：2009-05-07

  Therefore the present invention relates specifically to the compounds of general formula (I), in which R 1 and R 2 , which may be identical or different, are selected from the group comprising H, —C n H 2n-1 , a linear or branched alkyl group having from 1 to 6 carbon atoms, or together form an aromatic or aliphatic ring with 5 or 6 atoms; R 3 is selected from —CO—CH 3 , —NHOH, —OH, —OR 6 in which R 6 is a linear or branched alkyl group having from 1 to 6 carbon atoms; R 4 is selected from H, a linear or branched alkyl group having from 1 to 6 carbon atoms, phenyl, benzyl, —CF 3 or —CF 2 CF 3 , vinyl or allyl; R 5 , R 7 , R 8 are hydrogen atoms; or R 3 and R 4 , R 4 and R 5 , or R 7 and R 8 together form a ring, fused to the benzene, aromatic or aliphatic ring with 5 or 6 atoms comprising from 1 to 2 heteroatoms selected independently from the group comprising N, O, and use thereof in the medical field.

  因此，本发明特别涉及具有通用公式（I）的化合物，其中R1和R2，可以相同或不同，选自包括H，—CnH2n-1，具有1到6个碳原子的直链或支链烷基，或者共同形成一个含有5或6个原子的芳香族或脂肪族环；R3选自—CO—CH3，—NHOH，—OH，—OR6，其中R6是一个具有1到6个碳原子的直链或支链烷基；R4选自H，具有1到6个碳原子的直链或支链烷基，苯基，苄基，—CF3或—CF2CF3，乙烯基或烯丙基；R5，R7，R8是氢原子；或者R3和R4，R4和R5，或R7和R8共同形成一个环，与苯环，芳香族或脂肪族环融合，含有5或6个原子，并包括1到2个独立选自N，O的杂原子，及其在医疗领域的应用。