7-methoxy-1-(2-methyl-naphthalen-1-yl)-9H-β-carboline | 1253491-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-methoxy-1-(2-methyl-naphthalen-1-yl)-9H-β-carboline
• 英文别名: 7-methoxy-1-(2-methylnaphthalen-1-yl)-9H-pyrido[3,4-b]indole
• CAS: 1253491-85-8
• 化学式: C₂₃H₁₈N₂O
• 分子量: 338.409
• InChiKey: VVYHRWBIPXGGFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof
  申请人：Buolamwini John K.

  公开号：US20130131070A1

  公开（公告）日：2013-05-23

  Provided are 1-aryl or 1-heteroaryl substituted beta-carboline compounds or indole analogs thereof having the structure: where X is NH, N—C 1 -C 4 alkyl, S, or O; R 1 is 1-naphthyl or 1-dihydroacenaphthenyl, each optionally substituted with a halogen; and R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are independently H H, OH, halogen, CN, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkoxy, —C(O)OC 1 -C 4 ester, —C 1 -C 4 —SO 2 —NH—C 1 -C 4 sulfonamide, or phenyl with the proviso that X is NH, R 1 is 1-naphthyl or 1-naphthyl substituted with a halogen and one of R 5 , R 6 , or R 7 is C 1 -C 4 alkoxy, then R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are independently H, OH, halogen, CN, C 1 -C 4 haloalkoxy, —C(O)OC 1 -C 4 ester, —C 1 -C 4 —SO 2 —NH—C 1 -C 4 sulfonamide, or phenyl such that at least two of R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are other than H. Also provided are methods for inhibiting proliferation of cells associated with a cell proliferative disease by contacting the cell with the compounds provided herein.

  提供了具有以下结构的1-芳基或1-杂环芳基取代的β-咔啉化合物或其吲哚类似物： 其中X为NH，N-C1-C4烷基，S或O；R1为1-萘基或1-二氢蒽基，每个基都可以选择性地取代卤素；而R2、R3、R4、R5、R6和R7分别为H H、OH、卤素、CN、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷氧基、-C（O）OC1-C4酯、-C1-C4-SO2-NH-C1-C4磺酰胺或苯基，但X为NH，R1为1-萘基或1-萘基取代卤素且R5、R6或R7中的一个为C1-C4烷氧基，则R2、R3、R4、R5、R6和R7独立地为H、OH、卤素、CN、C1-C4卤代烷氧基、-C（O）OC1-C4酯、-C1-C4-SO2-NH-C1-C4磺酰胺或苯基，使得至少两个R2、R3、R4、R5、R6和R7不是H。还提供了通过将细胞与此处提供的化合物接触来抑制与细胞增殖性疾病相关的细胞增殖的方法。
• 1-aryl-or 1-heteroaryl-pyrido[B]indoles and uses thereof
  申请人：Buolamwini John K.

  公开号：US20100317667A1

  公开（公告）日：2010-12-16

  Provided herein are 1-aryl or 1-heteroarylsubstituted phenanthrene diketo acid compounds. These compounds comprise a β-carboline ring structure substituted at C1 with an aryl or heteroaryl moiety and individually substituted at C3-C8 and N9 with a C 1 -C 4 alkyl, a C 1 -C 4 alkoxy, a C 1 -C 4 alkoxyphenyl, halogen, thiol, alkylthiol, sulfonyl, sulfomainde, amide, substituted amide, ester, nitrile, OH, amino, substituted amine, haloalkyl, haloalkoxy, acyl, or a hydrogen. Also provided are methods for inhibiting proliferation of a cancer cell or for treating a cell proliferative disease by contacting the cancer cell or tumor comprising the same with the compounds provided herein or by administering the compounds to a subject with a cell proliferative disease.

  本文提供了1-芳基或1-杂芳基取代的菲并二酮酸化合物。这些化合物包括一个β-咔啉环结构，在C1处用芳基或杂芳基基团取代，并在C3-C8和N9处分别用C1-C4烷基，C1-C4烷氧基，C1-C4烷氧基苯基，卤素，硫醇，烷基硫醇，磺酰基，磺酰胺，酰胺，取代酰胺，酯，腈，OH，氨基，取代胺基，卤代烷基，卤代烷氧基，酰基或氢原子取代。还提供了通过将所提供的化合物接触到癌细胞或肿瘤中以抑制癌细胞增殖或治疗细胞增殖性疾病的方法，或通过将化合物给予患有细胞增殖性疾病的个体来治疗。
• US8329723B2
  申请人：——

  公开号：US8329723B2

  公开（公告）日：2012-12-11
• US8927570B2
  申请人：——

  公开号：US8927570B2

  公开（公告）日：2015-01-06
• [EN] 1-ARYL OR 1-HETEROARYL-PYRIDO[B]INDOLES AND USES THEREOF<br/>[FR] 1-ARYL OU 1-HÉTÉROARYL-PYRIDO[B]INDOLES ET UTILISATIONS ASSOCIÉES
  申请人：UNIV TENNESSEE RES FOUNDATION

  公开号：WO2010123583A2

  公开（公告）日：2010-10-28

  Provided herein are 1-aryl or 1-heteroarylsubstituted phenanthrene diketo acid compounds. These compounds comprise a β-carboline ring structure substituted at C1 with an aryl or heteroaryl moiety and individually substituted at C3-C8 and N9 with a C1-C4 alkyl, a C1-C4 alkoxy, a C1-C4 alkoxyphenyl, halogen, thiol, alkylthiol, sulfonyl, sulfomainde, amide, substituted amide, ester, nitrile, OH, amino, substituted amine, haloalkyl, haloalkoxy, acyl, or a hydrogen. Also provided are methods for inhibiting proliferation of a cancer cell or for treating a cell proliferative disease by contacting the cancer cell or tumor comprising the same with the compounds provided herein or by administering the compounds to a subject with a cell proliferative disease.