2-氯-4,6-二甲基-5-硝基嘧啶 | 1080650-03-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-氯-4,6-二甲基-5-硝基嘧啶
• 英文名称: 2-chloro-4,6-dimethyl-5-nitropyrimidine
• CAS: 1080650-03-8
• 化学式: C₆H₆ClN₃O₂
• 分子量: 187.586
• InChiKey: MRUDNQYMHIHIEA-UHFFFAOYSA-N

物化性质

• 沸点：
  300.8±37.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-4,6-二甲基-5-硝基嘧啶 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以to give the title compound IM06 (20 mg, 63%)的产率得到5-氨基-4,6-二甲基嘧啶
  参考文献：
  名称：

  New positive allosteric modulators of nicotinic acetylcholine receptor

  摘要：

  本发明涉及在治疗中有用的化合物，包括包含该化合物的组合物以及治疗疾病的方法，其中所提到的化合物是尼古丁乙酰胆碱α7受体的正向变构调节剂（PAMs）。

  公开号：

  US20130005743A1
• 作为产物：
  描述：

  4,6-二甲基-5-硝基嘧啶-2-醇 在 三氯氧磷 作用下， 反应 5.0h， 生成 2-氯-4,6-二甲基-5-硝基嘧啶
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM
  [FR] PYRAZOLOPYRIDINES UTILES DANS LE TRAITEMENT DE TROUBLES DU SYSTÈME NERVEUX CENTRAL

  摘要：

  本发明涉及在治疗中有用的化合物，包括含有这些化合物的组合物，以及治疗疾病的方法，包括给予这些化合物的管理。所指的化合物是尼古丁乙酰胆碱α7受体的正向变构调节剂（PAMs）。

  公开号：

  WO2013004617A1

文献信息

• [EN] NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS COMME INHIBITEURS DE LA KINASE RÉARRANGÉE AU COURS DE LA TRANSFECTION (RET)
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016037578A1

  公开（公告）日：2016-03-17

  This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

  这项发明涉及一种新型化合物，这些化合物是重排转位过程中的抑制剂（RET）激酶，包含它们的药物组合物，它们的制备方法，以及它们在治疗中的使用，单独或结合使用，用于规范胃肠敏感性、蠕动和/或分泌以及/或腹部紊乱或疾病和/或与RET功能障碍相关的疾病或调节RET活性可能具有治疗益处的治疗，包括但不限于所有分类的肠易激综合征（IBS），包括以腹泻为主、以便秘为主或交替排便模式、功能性腹胀、功能性便秘、功能性腹泻、未特指的功能性肠道障碍、功能性腹痛综合征、慢性特发性便秘、功能性食管障碍、功能性胃十二指肠障碍、功能性肛门疼痛、炎症性肠病、非小细胞肺癌、肝细胞癌、结肠癌、髓样甲状腺癌、滤泡性甲状腺癌、间变性甲状腺癌、乳头状甲状腺癌、脑肿瘤、腹腔癌、实体肿瘤、其他肺癌、头颈癌、神经胶质瘤、神经母细胞瘤、冯·希普-林道氏综合征和肾肿瘤、乳腺癌、输卵管癌、卵巢癌、移行细胞癌、前列腺癌、食管和食管胃交界处癌症、胆道癌、腺癌，以及任何具有增加RET激酶活性的恶性肿瘤。
• NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME
  申请人：Takemoto Naohiro

  公开号：US20100130739A1

  公开（公告）日：2010-05-27

  Provided is a compound that has the ability to promote axonal outgrowth in combination with the ability to promote angiogenesis and can therefore be used to reduce central nerve injuries such as head injury and spinal cord injury, cerebral infarction, ischemic heart diseases such as myocardial infarction and organic angina, peripheral arterial occlusive diseases such as critical limb ischemia, or after-effects of these diseases. Specifically, the compound is represented by the following formula (I): in which Nx group is preferably a 6-membered aromatic ring containing two nitrogen atoms; R 0 , R 1 and R 2 are each independently a hydrogen atom, an alkyl group, an amino group or the like; E is an oxygen atom or an —NR 8 group (wherein R 8 is an alkyl group or the like); n is an integer of 0 to 5; X and Y are each a connecting bond, a cycloalkyl group, —CO— or the like; and Q is a hydrogen atom or a phenyl group.

  提供的是一种化合物，具有促进轴突生长和促进血管生成的能力，因此可用于减少中枢神经损伤，如头部损伤和脊髓损伤，脑梗死，缺血性心脏病，如心肌梗死和器质性心绞痛，周围动脉闭塞性疾病，如严重肢体缺血或这些疾病的后遗症。具体而言，该化合物由以下公式（I）表示： 其中，Nx基团最好是含有两个氮原子的6元芳香环；R0、R1和R2分别独立地是氢原子、烷基、氨基或类似物；E是氧原子或—NR8基团（其中，R8是烷基或类似物）；n是0到5的整数；X和Y分别是连接键、环烷基、—CO—或类似物；Q是氢原子或苯基。
• Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same
  申请人：Takemoto Naohiro

  公开号：US08685989B2

  公开（公告）日：2014-04-01

  Compounds of Formula (I) promote axonal outgrowth angiogenesis and can therefore be used to reduce central nerve injuries such as head injury and spinal cord injury, cerebral infarction, ischemic heart diseases, peripheral arterial occlusive diseases, or after-effects of these diseases. in which Nx group is preferably a 6-membered aromatic ring containing two nitrogen atoms; R0, R1 and R2 are each independently a hydrogen atom, an alkyl group, or an amino group; E is an oxygen atom or an —NR8 group (wherein R8 is an alkyl group or the like); n is an integer of of 0 to 5; X and Y are each a connected bond, a cycloalkyl group, or —CO—; and Q is a hydrogen atom or a phenyl group.

  公式（I）的化合物促进轴突生长和血管生成，因此可用于减少中枢神经损伤，例如头部损伤和脊髓损伤，脑梗塞，缺血性心脏病，周围动脉闭塞病或这些疾病的后遗症。其中Nx基团最好是含有两个氮原子的6元芳香环；R0，R1和R2分别是氢原子，烷基或氨基；E是氧原子或-NR8基团（其中R8是烷基或类似物）；n是0到5的整数；X和Y分别是连接键，环烷基或-CO-；Q是氢原子或苯基。
• Compounds as rearranged during transfection (RET) inhibitors
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US10294236B2

  公开（公告）日：2019-05-21

  This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

  本发明涉及作为转染过程中重排（RET）激酶抑制剂的新型化合物、含有这些化合物的药物组合物、制备这些化合物的工艺，以及这些化合物在治疗中的用途（单独使用或联合使用），用于使胃肠道敏感性正常化、肠易激综合征（IBS）的所有分类，包括腹泻为主、便秘为主或交替大便模式、功能性腹胀、功能性便秘、功能性腹泻、不明功能性肠紊乱、功能性腹痛综合征、慢性特发性便秘、功能性食道疾病、功能性胃十二指肠疾病、功能性肛门直肠痛、炎症性肠病、增殖性疾病，如非小细胞肺癌、肝细胞癌、结肠直肠癌、甲状腺髓样细胞癌、滤泡性甲状腺癌、无细胞甲状腺癌、甲状腺乳头状癌、脑肿瘤、腹腔癌、实体瘤、其他肺癌、头颈部肿瘤、胶质瘤、神经母细胞瘤、冯-希佩尔-林道综合征和肾肿瘤、乳腺癌、输卵管癌、卵巢癌、过渡性细胞癌、前列腺癌、食道癌和胃食道交界处癌、胆道癌、腺癌以及任何 RET 激酶活性增高的恶性肿瘤。
• NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2151439B1

  公开（公告）日：2014-02-26