1-(3-mercapto-2S-methylpropanoyl)-indoline-2-carboxylic acid

• 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: 1-(3-mercapto-2S-methylpropanoyl)-indoline-2-carboxylic acid
• 英文别名: 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-2,3-dihydroindole-2-carboxylic acid
• 化学式: C₁₃H₁₅NO₃S
• 分子量: 265.333
• InChiKey: XYVFGQVIZOKXTN-RZZZFEHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• 2,3-Dihydro-1H-indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing these derivatives and their preparation
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP0024852A1

  公开（公告）日：1981-03-11

  2,3-Dihydro-1H-indole derivatives of formula I wherein n is 1 or 0; X, Y and R1-3 are hydrogen or defined substituents; R5 is hydroxy, amino or lower alkoxy, the dotted line represents an optional single bond with the proviso that when the bond is present then T is sulphur and R5 and R24 are absent, and when the bond is absent then T represents 0, NR13 or S and R24 and R6 are present; R13 is hydrogen or lower alkyl and R24 is defined substituents or when T is sulphur, R24 can be hydrogen; are disclosed which act as inhibitors of angiotensin converting enzyme and may be used as antihypertensive agents. Pharmaceutical compositions containing the compounds and processes for preparing the compounds via 1,2-disubstituted-2, 3-dihydro-1H-indole intermediates are also disclosed.

  式 I 的 2,3-二氢-1H-吲哚衍生物 其中 n 为 1 或 0；X、Y 和 R1-3 为氢或定义的取代基；R5 为羟基、氨基或低级烷氧基，虚线代表任选的单键，但当键存在时，T 为硫，R5 和 R24 不存在，当键不存在时，T 代表 0、NR13 或 S，R24 和 R6 存在；R13是氢或低级烷基，R24是定义的取代基，或者当T是硫时，R24可以是氢；本发明公开了可作为血管紧张素转换酶抑制剂并可用作降压药的化合物。还公开了含有这些化合物的药物组合物以及通过 1,2-二取代-2,3-二氢-1H-吲哚中间体制备这些化合物的工艺。
• Allosteric inhibitors of thymidylate synthase
  申请人：UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED

  公开号：US10420761B2

  公开（公告）日：2019-09-24

  The current invention is directed to a class of compounds that inhibit the function of Thymidylate synthase. Thymidylate synthase inhibition was noted to result in inhibition of tumor cell grow and killing of tumor cells. Thymidylate synthase inhibition is, thus, useful for treatment of various types of cancers, including but not limited to, acute lymphoblatic leukemia (ALL), acute myelogenous leukemia (AML), acute promyelocytic leukemia, chronic lymphocytic leukemia (CLL), chronic myelogenous leukemia (CML), acute monocytic leukemia (AMOL), hairy cell leukemia, large cell immunoblastic lymphoma, plasmacytoma, multiple myeloma, Hodgkin's lymphoma, non-Hodgkin's lymphoma, leukemia, brain cancer, lung cancer, central nervous system (CNS) cancer, melanoma, renal cancer, prostate cancer, colon cancer, ovarian cancer and breast cancer. The compounds disclosed herein can be used alone or in combination with other cancer treatment regimens (e.g., radiation therapy and/or other chemotherapeutic agents that are administered to a subject having a tumor, cancer or neoplasia).

  本发明涉及一类抑制胸苷酸合成酶功能的化合物。据指出，抑制胸腺苷酸合成酶可抑制肿瘤细胞生长并杀死肿瘤细胞。因此，胸苷酸合成酶抑制剂可用于治疗各种类型的癌症，包括但不限于急性淋巴细胞白血病（ALL）、急性髓性白血病（AML）、急性早幼粒细胞白血病、慢性淋巴细胞白血病（CLL）、慢性髓性白血病（CML）、急性单核细胞白血病（AMOL）、毛细胞白血病、大细胞免疫母细胞淋巴瘤、浆细胞瘤、多发性骨髓瘤、霍奇金淋巴瘤、非霍奇金淋巴瘤、白血病、脑癌、肺癌、中枢神经系统（CNS）癌、黑色素瘤、肾癌、前列腺癌、结肠癌、卵巢癌和乳腺癌。本文公开的化合物可单独使用，也可与其他癌症治疗方案（如对患有肿瘤、癌症或新生物的受试者施用的放射治疗和/或其他化疗药物）联合使用。
• PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS
  申请人：THE UPJOHN COMPANY

  公开号：EP0483271A1

  公开（公告）日：1992-05-06
• COMPOSITIONS USEFUL TO TREAT OCULAR NEOVASCULAR DISEASES AND MACULAR DEGENERATION
  申请人：Nu-Tein Co., Inc.

  公开号：EP1814540A2

  公开（公告）日：2007-08-08
• JPS5781460A
  申请人：——

  公开号：JPS5781460A

  公开（公告）日：1982-05-21