tert-butyl (3-amino-1-phenyl-1H-pyrazol-4-yl)carbamate | 913739-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl (3-amino-1-phenyl-1H-pyrazol-4-yl)carbamate
• 英文别名: tert-butyl 3-amino-1-phenyl-1H-pyrazol-4-ylcarbamate；tert-butyl N-(3-amino-1-phenylpyrazol-4-yl)carbamate
• CAS: 913739-29-4
• 化学式: C₁₄H₁₈N₄O₂
• 分子量: 274.323
• InChiKey: CFABYTLTJDYRDT-UHFFFAOYSA-N

物化性质

• 沸点：
  389.9±27.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (3-amino-1-phenyl-1H-pyrazol-4-yl)carbamate 在 盐酸 、 甲醇 、 (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 32.0h， 生成 N-(4-amino-1-phenyl-1H-pyrazol-3-yl)-6-[2-(benzylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
  参考文献：
  名称：

  WO2006/115845

  摘要：

  公开号：
• 作为产物：
  描述：

  4-硝基-1-苯基-1H-吡唑-3-羧酸 在 platinum(IV) oxide 叠氮磷酸二苯酯 、 氢气 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 叔丁醇 为溶剂， 反应 34.0h， 生成 tert-butyl (3-amino-1-phenyl-1H-pyrazol-4-yl)carbamate
  参考文献：
  名称：

  WO2006/115845

  摘要：

  公开号：

文献信息

• Spirocyclic compounds
  申请人：Berk C. Scott

  公开号：US20070117824A1

  公开（公告）日：2007-05-24

  The present invention relates to a novel class of substituted spirocyclic compounds. These compounds can inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the compounds of the instant invention and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of these compounds in vivo.

  本发明涉及一类新型的取代螺环化合物。这些化合物可以抑制组蛋白去乙酰化酶，并适用于在选择性诱导终末分化、阻止肿瘤细胞生长和/或凋亡的过程中使用，从而抑制这些细胞的增殖。因此，本发明的化合物在治疗具有肿瘤特征的患者方面是有用的，这些肿瘤具有肿瘤细胞的增殖。本发明的化合物还可能在预防和治疗TRX介导的疾病方面有用，例如自身免疫、过敏和炎症性疾病，以及预防和/或治疗中枢神经系统（CNS）疾病，如神经退行性疾病。本发明还提供了包括本发明化合物的药物组合物和这些药物组合物的安全用药方案，这些方案易于遵循，并在体内产生这些化合物的治疗有效量。
• IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS
  申请人：Melvin, JR. Lawrence S.

  公开号：US20090005374A1

  公开（公告）日：2009-01-01

  A compound of general Formula (I) having histone deacetylase (HDAC) and/or CDK inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  具有组蛋白去乙酰化酶（HDAC）和/或CDK抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的方法。
• Fluorinated Arylamide Derivatives
  申请人：Miller Thomas A.

  公开号：US20090012075A1

  公开（公告）日：2009-01-08

  The present invention relates to a novel class of fluorinated arylamide derivatives. The instant compounds can be used to treat cancer. The fluorinated arylamide derivatives can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the hydroxamic acid derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the hydroxamic acid derivatives in vivo.

  本发明涉及一种新型的氟化芳基酰胺衍生物。这些化合物可用于治疗癌症。氟化芳基酰胺衍生物还可以抑制组蛋白去乙酰化酶，并适用于选择性诱导终末分化、阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的这些化合物在治疗具有肿瘤细胞增殖特征的患者中是有用的。本发明的这些化合物也可能在预防和治疗TRX介导的疾病中有用，例如自身免疫、过敏和炎症性疾病，以及中枢神经系统（CNS）疾病的预防和/或治疗，如神经退行性疾病。本发明还提供了包含羟酰胺衍生物的药物组合物和这些药物组合物的安全用量方案，这些方案易于遵循，并在体内产生治疗有效量的羟酰胺衍生物。
• PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS
  申请人：Close Joshua

  公开号：US20090270351A1

  公开（公告）日：2009-10-29

  The present invention relates to a novel class of phosphorus derivatives. The phosphorus compounds can be used to treat cancer. The phosphorus compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the phosphorus derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the phosphorus derivatives in vivo.

  本发明涉及一种新型的磷衍生物。这些磷化合物可以用于治疗癌症。这些磷化合物还可以抑制组蛋白去乙酰化酶，适用于选择性诱导终末分化，并阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物对于治疗具有肿瘤细胞增殖特征的患者非常有用。本发明的化合物还可以用于预防和治疗TRX介导的疾病，例如自身免疫、过敏和炎症性疾病，以及预防和/或治疗中枢神经系统（CNS）疾病，例如神经退行性疾病。本发明还提供了包含这些磷衍生物的药物组合物和这些药物组合物的安全剂量方案，这些方案易于遵循，并在体内产生治疗有效量的磷衍生物。
• Benzothiophene derivatives
  申请人：Hubbs Jed Lee

  公开号：US20090082308A1

  公开（公告）日：2009-03-26

  The present invention relates to a novel class of benzothiophene amide derivatives. The hydroxamic acid compounds can be used to treat cancer. The benzothiophene amide compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the hydroxamic acid derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the hydroxamic acid derivatives in vivo.

  本发明涉及一类新型的苯并噻吩酰胺衍生物。这些羟肟酸化合物可用于治疗癌症。苯并噻吩酰胺化合物还可以抑制组蛋白去乙酰化酶，并适用于选择性诱导终末分化，阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物可用于治疗具有肿瘤细胞增殖特征的患者。该发明的化合物也可用于预防和治疗TRX介导的疾病，如自身免疫性、过敏性和炎症性疾病，以及中枢神经系统（CNS）疾病的预防和/或治疗，如神经退行性疾病。本发明还提供了包含羟肟酸衍生物的药物组合物和这些药物组合物的安全剂量方案，易于遵循，并在体内产生治疗有效量的羟肟酸衍生物。