methyl 3-amino-2,6-dimethylbenzoate | 269072-16-4

• 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 3-amino-2,6-dimethylbenzoate
• 英文别名: 3-amino-2,6-dimethyl-benzoic acid methyl ester
• CAS: 269072-16-4
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: FLUHUDWSQQURAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-amino-2,6-dimethylbenzoate 在 硫酸 、 二异丁基氢化铝 、 potassium carbonate 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 (3-methoxy-2,6-dimethylphenyl)methanol
  参考文献：
  名称：

  COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION

  摘要：

  本公开提供了抑制膜联酪氨酸/苏氨酸蛋白激酶 1（PKMYT1）的化合物和方法。

  公开号：

  WO2023249563A1
• 作为产物：
  描述：

  2,6-二甲基苯甲酸 在 tin(II) chloride dihdyrate 、 硫酸 、 硝酸 、 potassium carbonate 作用下， 以 硝基甲烷 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 methyl 3-amino-2,6-dimethylbenzoate
  参考文献：
  名称：

  [EN] 3-SUBSTITUTED COMPOUNDS FOR REDUCING URIC ACID
  [FR] COMPOSÉS 3-SUBSTITUÉS POUR RÉDUIRE L'ACIDE URIQUE

  摘要：

  在哺乳动物主体中，通过给予一种公式1化合物，可以降低尿酸并增加尿酸的排泄。该发明的化合物的降尿酸效果可用于治疗或预防多种疾病，包括痛风，高尿酸血症，尿酸水平升高但不符合通常诊断为高尿酸血症的水平，肾功能障碍，肾结石，心血管疾病，发生心血管疾病的风险，肿瘤溶解综合征，认知障碍，早发性高血压和疟原虫引起的炎症。

  公开号：

  WO2011046800A1

文献信息

• Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2
  申请人：eFFECTOR THERAPEUTICS, INC.

  公开号：US10112955B2

  公开（公告）日：2018-10-30

  The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula I, or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof. For Formula I compounds A1, A2, A3, A4, A5, W1, Y, R1, R2, R3, R4, R5, R6a, R6b, R7, R8, R8a, R8b, R9, R9a, R9b, and R10 and subscript “n” are as defined in the specification. The inventive Formula I compounds are inhibitors of Mnk and find utility in any number of therapeutic applications, including but not limited to treatment of inflammation and various cancers.

  本发明提供了根据式I合成的化合物、药用可接受的配方和用途，或其立体异构体、互变异构体或药用可接受的盐。 对于式I中的化合物A1、A2、A3、A4、A5、W1、Y、R1、R2、R3、R4、R5、R6a、R6b、R7、R8、R8a、R8b、R9、R9a、R9b和R10以及下标“n”，如规范中所定义。创新的式I化合物是Mnk的抑制剂，并在许多治疗应用中发挥作用，包括但不限于治疗炎症和各种癌症。
• Gastrin and cholecystokinin receptor ligands
  申请人：James Black Foundation Limited

  公开号：US06479531B1

  公开（公告）日：2002-11-12

  Compounds of formula (I) and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. X and Y are independently ═N—, —N(R5)—═CH—, —S— or —O—. n is from 1 to 4; R1 is H or C1 to C15 hydrocarbyl R2 is selected from H, Me, Et, Pr and OH, R3 is selected from H, Me, Et and Pr; or (when n is greater than 1) each R3 is independently selected from H, Me, Et and Pr, or two R3 groups on neighbouring carbon atoms are linked to form a C3 to C6 carbocylic ring, or R2 and R3 on the same carbon atom together represent an ═O group; R4 is C1 to C15 hydrocarbyl Z is —(NR7)a—CO—(NR8)b— (wherein a is 0 or 1, b is 0 or 1, —CO—NR7—CH2—CO—NR8—, —CO—O—, —CH2—CH2—, —CH═CH—, —CH2—NR8— or a bond; Q is —R9V, or (II), (wherein R9 is —CH2—; —CH2—CH2—; or (III), R9 and R8, together with the nitrogen atom to which R8 is attached, form a piperidine or pyrrolidine ring which is substituted by V; V is —CO—NH—SO2—Ph, —SO2—NH—CO—Ph, —CH2OH, or a group of the formula —R10U, (wherein U is —COOH, tetrazolyl, —CONHOH— or —SO3H; and R10 is a bond; C1 to C6 hydrocarbylene, —O—(C1 to C3 alkylene)—; —SO2NR11—CHR12—; —CO—NR11—CHR12—, or —NH—(CO)c—CH2—, c being 0 or 1).

  化合物的结构式（I）及其药学上可接受的盐是胃泌素和/或胆囊收缩素受体的配体。X和Y独立地为═N—，—N(R5)—═CH—，—S—或—O—。n为1至4；R1为H或C1至C15烃基；R2从H，Me，Et，Pr和OH中选择；R3从H，Me，Et和Pr中选择；或（当n大于1时）每个R3独立地从H，Me，Et和Pr中选择，或相邻碳原子上的两个R3基团连接形成C3至C6碳环，或R2和R3在同一碳原子上共同表示一个═O基团；R4为C1至C15烃基；Z为—(NR7)a—CO—(NR8)b—（其中a为0或1，b为0或1，—CO—NR7—CH2—CO—NR8—，—CO—O—，— — —，—CH═CH—，— —NR8—或键；Q为—R9V，或（II），（其中R9为— —；— — —；或（III），R9和R8，与R8连接的氮原子一起形成被V取代的哌啶或吡咯烷环；V为—CO—NH—SO2—Ph，—SO2—NH—CO—Ph，— OH，或具有式—R10U的基团，（其中U为—COOH，四唑基，—CONHOH—或—SO3H；R10为键；C1至C6烃基亚烷，—O—（C1至C3亚烷基）—；—SO2NR11—CHR12—；—CO—NR11—CHR12—，或—NH—（CO）c— —，其中c为0或1）。
• 이미다조[1,2-a]피리딘 유도체, 이의 제조방법 및 이의 용도
  申请人：JEIL PHARMACEUTICAL CO.,LTD 제일약품주식회사(120170326287) Corp. No ▼ 110111-6420361BRN ▼628-88-00669

  公开号：KR101777971B1

  公开（公告）日：2017-09-12

  본 발명은 신규한 이미다조[1,2- a ]피리딘 유도체에 관한 것으로서, 보다 상세하게는 우수한 위산분비 저해 활성을 이미다조[1,2- a ]피리딘 유도체, 이의 제조방법 및 이의 용도에 관한 것이다. 본 발명에 따른 이미다조[1,2-a]피리딘 유도체은 위산분비 저해 활성을 통하여 위장관 염증질환 또는 위산-관련 질환의 예방 또는 치료에 유용하게 사용될 수 있다.

  本发明涉及一种新型的咪唑[1,2-a]吡啶衍生物，更详细地说，涉及咪唑[1,2-a]吡啶衍生物具有优越的抑制胃酸分泌活性，以及其制备方法和用途。根据本发明，咪唑[1,2-a]吡啶衍生物可通过抑制胃酸分泌活性来预防或治疗胃肠道炎症性疾病或与胃酸相关的疾病。
• [EN] GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RECEPTEURS DE LA GASTRINE ET DE LA CHOLECYSTOKININE
  申请人：BLACK JAMES FOUNDATION

  公开号：WO2000027823A1

  公开（公告）日：2000-05-18

  Compounds of formula (I) and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. X and Y are independently =N-, -N(R5)- =CH-, -S- or -O-. n is from 1 to 4; R1 is H or C¿1? to C15 hydrocarbyl R?2¿ is selected from H, Me, Et, Pr and OH, R¿3? is selected from H, Me, Et and Pr; or (when n is greater than 1) each R?3¿ is independently selected from H, Me, Et and Pr, or two R3 groups on neighbouring carbon atoms are linked to form a C¿3? to C6 carbocylic ring, or R?2 and R3¿ on the same carbon atom together represent an =O group; R4 is C1 to C15 hydrocarbyl Z is -(NR7)a-CO-(NR8)b- (wherein a is 0 or 1, b is 0 or 1, -CO-NR7-CH2-CO-NR8-, -CO-O-, -CH¿2?-CH2-, -CH=CH-, -CH2-NR?8¿- or a bond; Q is -R9V, or (II), (wherein R9 is -CH¿2?-; -CH2-CH2-; or (III), R?9 and R8¿, together with the nitrogen atom to which R8 is attached, form a piperidine or pyrrolidine ring which is substituted by V; V is -CO-NH-SO¿2?-Ph, -SO2-NH-CO-Ph, -CH2OH, or a group of the formula -R?10¿U, (wherein U is -COOH, tetrazolyl, -CONHOH- or -SO¿3?H; and R?10¿ is a bond; C¿1? to C6 hydrocarbylene, -O-(C1 to C3 alkylene)-; -SO2NR?11-CHR12¿-; -CO-NR?11-CHR12¿-, or -NH-(CO)¿c?-CH2-, c being 0 or 1).

  式(I)化合物及其药学上可接受的盐是胃泌素和/或胆囊收缩素受体的配体。X和Y独立地为=N-，-N（R5）-，=CH-，-S-或-O-。n为1至4；R1为H或C1至C15的烃基；R2从H，Me，Et，Pr和OH中选择，R3从H，Me，Et和Pr中选择；或（当n大于1时）每个R3独立地从H，Me，Et和Pr中选择，或相邻碳原子上的两个R3基团连接形成C3至C6的环烷基，或R2和R3在同一碳原子上共同表示一个=O基团；R4为C1至C15的烃基，Z为-(NR7)a-CO-(NR8)b-（其中a为0或1，b为0或1，-CO-NR7-CH2-CO-NR8-，-CO-O-，- - -，-CH=CH-，- -NR8-或键；Q为-R9V，或（II），（其中R9为- -；- - -；或（III），R9和R8，连同R8所连接的氮原子，形成被V取代的哌嗪或吡咯烷环；V为-CO-NH-SO2-Ph，-SO2-NH-CO-Ph，- OH，或式-R10U的基团（其中U为-COOH，四唑基，-CONHOH-或-SO3H；R10为键；C1至C6的烃亚基，-O-（C1至C3的烷基）-；-SO2NR11-CHR12-；-CO-NR11-CHR12-，或-NH-（CO）c- -，其中c为0或1）。
• Imidazo[1,2-A]pyridine derivatives, methods for preparing the same and use thereof
  申请人：Jeil Pharmaceutical Co., Ltd.

  公开号：US10696671B2

  公开（公告）日：2020-06-30

  The present disclosure relates to novel imidazo[1,2-a]pyridine derivatives, and more particularly to imidazo[1,2-a]pyridine derivatives of Formula 1 wherein Y1, Y2 and Y3 are each independently H, halogen, a C1-C6 straight chain alkyl unsubstituted or substituted with R1, or hydroxy; R1 is hydroxy; Y4 is H, C1-C6 straight chain alkyl, or C1-C6 alkoxy; and X is H or halogen, and having an excellent activity of inhibiting gastric acid secretion, methods for preparing the same, and the use thereof. The imidazo[1,2-a]pyridine derivatives according to the present disclosure have gastric acid secretion inhibitory activity, and thus may be effectively used for the prevention or treatment of gastrointestinal inflammatory diseases or gastric acid-related diseases.

  本公开涉及新型咪唑并[1,2-a]吡啶衍生物，特别是式 1 的咪唑并[1,2-a]吡啶衍生物 其中 Y1、Y2 和 Y3 各自独立地为 H、卤素、未被 R1 取代或取代的 C1-C6 直链烷基或羟基；R1 为羟基；Y4 为 H、C1-C6 直链烷基或 C1-C6 烷氧基；以及 X 为 H 或卤素、 及其制备方法和用途。根据本公开的咪唑并[1,2-a]吡啶衍生物具有胃酸分泌抑制活性，因此可有效用于预防或治疗胃肠道炎症疾病或胃酸相关疾病。