3-Amino-5-(3-chloro-phenyl)-thiophene-2-carboxylic acid methyl ester | 304477-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-Amino-5-(3-chloro-phenyl)-thiophene-2-carboxylic acid methyl ester
• 英文别名: Methyl 3-amino-5-(3-chlorophenyl)-2-thiophenecarboxylate；Methyl 3-amino-5-(3-chlorophenyl)thiophene-2-carboxylate
• CAS: 304477-85-8
• 化学式: C₁₂H₁₀ClNO₂S
• mdl: MFCD11207950
• 分子量: 267.736
• InChiKey: WLPWFUWQZRXIFA-UHFFFAOYSA-N

物化性质

• 沸点：
  469.6±45.0 °C(Predicted)
• 密度：
  1.363±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Amino-5-(3-chloro-phenyl)-thiophene-2-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-Amino-5-(3-chlorophenyl)-2-thiophenecarboxylic acid
  参考文献：
  名称：

  Novel Compounds

  摘要：

  这项发明涉及到式(I)的杂环芳香族羧酰胺， 其中A、R1、R2和X如规范中定义，以及用于它们制备的过程和中间体，含有它们的药物组合物以及它们在治疗中的应用。

  公开号：

  US20020107252A1
• 作为产物：
  描述：

  3-氯苯乙酮 在 sodium methylate 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 3-Amino-5-(3-chloro-phenyl)-thiophene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Structure-Guided Optimization of Small-Molecule Folate Uptake Inhibitors Targeting the Energy-Coupling Factor Transporters

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c02114

文献信息

• [EN] EIF4E INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'EIF4E ET LEURS UTILISATIONS
  申请人：PIC THERAPEUTICS INC

  公开号：WO2021178488A1

  公开（公告）日：2021-09-10

  The present invention provides compounds inhibiting elF4E activity and compositions and methods of using thereof.

  本发明提供了抑制elF4E活性的化合物以及使用它们的组合物和方法。
• Novel Compounds
  申请人：——

  公开号：US20020107252A1

  公开（公告）日：2002-08-08

  The invention relates to heteroaromatic carboxamides of formula (I), 1 wherein A, R 1 , R 2 and X are as defined in the specification, processes and intermediates used in their preparation, pharmaceutical compositions containing them and their use in therapy.

  这项发明涉及到式(I)的杂环芳香族羧酰胺， 其中A、R1、R2和X如规范中定义，以及用于它们制备的过程和中间体，含有它们的药物组合物以及它们在治疗中的应用。
• Cyclic regimens using cyclocarbamate and cyclic amide derivatives
  申请人：American Home Products Corporation

  公开号：US06380178B1

  公开（公告）日：2002-04-30

  This invention relates to cyclic combination therapies and regimens utilizing, in combination with progestins, substituted indoline derivative compounds which are antagonists of the progesterone receptor having the general structure: where A and B are independent substituents selected from S, CH or N; provided that when A is S, B is CH or N; and when B is S, A is CH or N; and A and B cannot both be CH; and when A and B both equal N, one N may be optionally substituted with an C1 to C6 alkyl group; R1 and R2 are independent substituents selected from the group of H, C1 to C6 alkyl, substituted C1 to C6 alkyl, C2 to C6 alkenyl, substituted C2 to C6 alkenyl, C2 to C6 alkynyl, substituted C2 to C6 alkynyl, C3 to C8 cycloalkyl, substituted C3 to C8 cycloalkyl, aryl, substituted aryl, heterocyclic, substituted heterocyclic, CORA, or NRBCORA; or R1 and R2 are fused to form optionally substituted 3 to 8 membered spirocyclic alkyl, alkenyl or heterocyclic ring, the heterocyclic ring containing one to three heteroatoms selected from the group of O, S and N; or pharmaceutically useful salts thereof. These methods of treatment may be used for contraception.

  本发明涉及循环联合疗法和方案，利用与孕激素相结合的取代吲哚啉衍生物化合物，其是孕激素受体拮抗剂，具有以下通用结构：其中A和B是独立的取代基，选自S，CH或N；前提是当A为S时，B为CH或N；当B为S时，A为CH或N；A和B不能同时为CH；当A和B均等于N时，一个N可以选择性地被取代为C1至C6烷基；R1和R2是独立的取代基，选自H，C1至C6烷基，取代的C1至C6烷基，C2至C6烯基，取代的C2至C6烯基，C2至C6炔基，取代的C2至C6炔基，C3至C8环烷基，取代的C3至C8环烷基，芳基，取代的芳基，杂环，取代的杂环，CORA或NRBCORA；或R1和R2融合形成可选择性取代的3至8成员螺环烷基，烷基，烯基或杂环环，其中杂环环包含选自O，S和N的一到三个杂原子；或其药学上有用的盐。这些治疗方法可用于避孕。
• Cyclocarbamate and cyclic amide derivatives
  申请人：American Home Products Corporation

  公开号：US06306851B1

  公开（公告）日：2001-10-23

  This invention provides compounds of the formula: wherein A and B are independent substituents selected from S, CH or N; provided that when A is S, B is CH or N; and when B is S, A is CH or N; and A and B cannot both be CH; and when A and B both equal N, one N may be optionally substituted with an C1 to C6 alkyl group; R1 and R2 are independent substituents selected from the group of H, C1 to C6 alkyl, substituted C1 to C6 alkyl, C2 to C6 alkenyl, substituted C2 to C6 alkenyl, C2 to C6 alkynyl, substituted C2 to C6 alkynyl, C3 to C8 cycloalkyl, substituted C3 to C8 cycloalkyl, aryl, substituted aryl, heterocyclic, substituted heterocyclic, CORA, or NRBCORA; or R1 and R2 are fused to form optionally substituted 3 to 8 membered spirocyclic alkyl, alkenyl or heterocyclic ring, the heterocyclic ring containing one to three heteroatoms selected from the group of O, S and N; or pharmaceutically useful salts thereof. The compounds of this invention are useful as agonists and antagonists of the progesterone receptor and in methods of inducing contraception and in the treatment or prevention of benign or malignant neoplastic diseases.

  本发明提供了以下式子的化合物：其中A和B是独立的取代基，选择自S、CH或N；但当A为S时，B为CH或N；当B为S时，A为CH或N；且A和B不能同时为CH；当A和B都等于N时，一个N可以选择性地被取代为C1至C6烷基；R1和R2是独立的取代基，选择自H、C1至C6烷基、取代的C1至C6烷基、C2至C6烯基、取代的C2至C6烯基、C2至C6炔基、取代的C2至C6炔基、C3至C8环烷基、取代的C3至C8环烷基、芳基、取代的芳基、杂环、取代的杂环、CORA或NRBCORA；或R1和R2融合形成可选择性取代的3至8成员螺环烷基、烯基或杂环环，其中杂环环含有1至3个来自O、S和N的杂原子；或其药学上有用的盐。本发明的化合物可用作孕激素受体的激动剂和拮抗剂，并用于诱导避孕和治疗或预防良性或恶性肿瘤疾病的方法。
• [EN] HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2<br/>[FR] DERIVES DE CARBOXAMIDES HETEROAROMATIQUES ET LEUR UTILISATION COMME INHIBITEURS DE L'ENZYME IKK-2
  申请人：ASTRAZENECA AB

  公开号：WO2001058890A1

  公开（公告）日：2001-08-16

  The invention relates to heteroaromatic carboxamides of formula (I), wherein A, R1, R2 and X are as defined in the specification, processes and intermediates used in their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明涉及式（I）的杂环芳香族羧酰胺，其中A，R1，R2和X如规范中定义的过程和中间体，制备它们所用的制剂，含有它们的制药组合物以及它们在治疗中的使用。