2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-amine | 1017675-26-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
• 英文别名: 2-methanesulfonyl-1,2,3,4-tetrahydro-isoquinolin-7-ylamine；2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-amine
• CAS: 1017675-26-1
• 化学式: C₁₀H₁₄N₂O₂S
• 分子量: 226.299
• InChiKey: XKQPKSBAPXVCOK-UHFFFAOYSA-N

物化性质

• 沸点：
  430.5±55.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(methylsulfonyl)-7-nitro-1,2,3,4-tetrahydroisoquinoline 在 钯 氢气 作用下， 以 乙醇 、 甲醇 为溶剂， 反应 16.0h， 以gave 2-methanesulfonyl-1,2,3,4-tetrahydro-isoquinolin-7-ylamine的产率得到2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
  参考文献：
  名称：

  PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER

  摘要：

  本发明提供了一种式为(I)的嘧啶类化合物：其中-XR3在环位2处连接，-YR4在环位5或6处连接；R1和R2与它们所连接的氮原子一起形成未取代或取代的吗啉环；X为直接键；R3从以下式(1)的组中选择：其中B为未取代或取代的苯环，Z从-OR、CH2OR和-NRS(O)mR中选择，其中每个R独立地从H、C1-C6烷基、C3-C10环烷基和5-至12成员芳基或杂芳基组中选择，该组未取代或取代，m为2；或未取代或取代的吲唑基；Y从-O-(CH2)n-、-NH-(CH2)n、-NHC(O)-(CH2)n-和-C(O)NH-(CH2)n-中选择，其中n为0或1至3的整数，R4选择未取代或取代的不饱和5-至12成员碳环或杂环基和-NR5R6组，其中R5和R6，相同或不同，各自独立地从未取代或取代的C1-C6烷基、C3-C10环烷基、-C(O)R、-C(O)N(R)2和-S(O)mR中选择，其中R和m如上所定义，或R5和R6与它们所连接的氮原子一起形成未取代或取代的饱和5、6或7成员含氮杂环基；以及其药学上可接受的盐。这些化合物是PI3K抑制剂，因此可用于治疗与PI3激酶相关的异常细胞生长、功能或行为引起的疾病和障碍，如癌症、免疫紊乱、心血管疾病、病毒感染、炎症、代谢/内分泌功能障碍和神经系统障碍。

  公开号：

  US20090156601A1

文献信息

• PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER
  申请人：McDonald Edward

  公开号：US20090156601A1

  公开（公告）日：2009-06-18

  The invention provides compounds which are pyrimidines of formula (I): wherein —XR 3 is bonded at ring position 2 and —YR 4 is bonded at ring position 5 or 6; R 1 and R 2 form, together with the N atom to which they are attached, a morphorine ring which is unsubstituted or substituted; X is a direct bond; R 3 is selected from (i) a group of the following formula (1): wherein B is a phenyl ring which is unsubstituted or substituted and Z is selected from —OR, CH2OR and —NRS(O) mR, wherein each R is independently selected from H, C 1 -C 6 alkyl, C 3 -C 10 cycloalkyl and a 5- to 12-membered aryl or heteroaryl group, the group being unsubstituted or substituted, and m is 2; and (ii) an indazole group which is unsubstituted or substituted; and Y is selected from —O—(CH 2 ) n —, —NH—(CH 2 ) n , —NHC(O)—(CH 2 ) n — and —C(O)NH—(CH 2 ) n — wherein n is 0 or an integer of 1 to 3, and R 4 is selected from an unsaturated 5- to 12-membered carbocyclic or heterocyclic group which is unsubstituted or substituted and a group —NR 5 R 6 wherein R 5 and R 6 , which are the same or different, are each independently selected from H, C 1 -C 6 alkyl which is unsubstituted or substituted, C 3 -C 10 cycloalkyl which is unsubstituted or substituted, —C(O)R, —C(O)N(R) 2 and —S(O) m R wherein R and m are as defined above, or R 5 and R6 together form, with the nitrogen atom to which they are attached, a saturated 5-, 6- or 7-membered N-containing heterocyclic group which is unsubstituted or substituted; and the pharmaceutically acceptable salts thereof. These compounds are inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase such as cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  本发明提供了一种式为(I)的嘧啶类化合物：其中-XR3在环位2处连接，-YR4在环位5或6处连接；R1和R2与它们所连接的氮原子一起形成未取代或取代的吗啉环；X为直接键；R3从以下式(1)的组中选择：其中B为未取代或取代的苯环，Z从-OR、CH2OR和-NRS(O)mR中选择，其中每个R独立地从H、C1-C6烷基、C3-C10环烷基和5-至12成员芳基或杂芳基组中选择，该组未取代或取代，m为2；或未取代或取代的吲唑基；Y从-O-(CH2)n-、-NH-(CH2)n、-NHC(O)-(CH2)n-和-C(O)NH-(CH2)n-中选择，其中n为0或1至3的整数，R4选择未取代或取代的不饱和5-至12成员碳环或杂环基和-NR5R6组，其中R5和R6，相同或不同，各自独立地从未取代或取代的C1-C6烷基、C3-C10环烷基、-C(O)R、-C(O)N(R)2和-S(O)mR中选择，其中R和m如上所定义，或R5和R6与它们所连接的氮原子一起形成未取代或取代的饱和5、6或7成员含氮杂环基；以及其药学上可接受的盐。这些化合物是PI3K抑制剂，因此可用于治疗与PI3激酶相关的异常细胞生长、功能或行为引起的疾病和障碍，如癌症、免疫紊乱、心血管疾病、病毒感染、炎症、代谢/内分泌功能障碍和神经系统障碍。
• L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs
  申请人：Recurium IP Holdings, LLC

  公开号：US11124518B2

  公开（公告）日：2021-09-21

  Compounds of Formula (I) are provided herein. Such compounds, as well as pharmaceutically acceptable salts and compositions thereof, are useful for treating diseases or conditions, including conditions characterized by excessive cellular proliferation, such as breast cancer.

  本文提供了式（I）化合物。此类化合物及其药学上可接受的盐和组合物可用于治疗疾病或病症，包括以细胞过度增殖为特征的病症，如乳腺癌。
• WO2007/42806
  申请人：——

  公开号：——

  公开（公告）日：——
• 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D]PYRIMIDIN -3 - ONE ANALOGS
  申请人：Recurium IP Holdings, LLC

  公开号：EP3661918A1

  公开（公告）日：2020-06-10
• 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS
  申请人：Recurium IP Holdings, LLC

  公开号：US20200157112A1

  公开（公告）日：2020-05-21

  Compounds of Formula (I) are provided herein. Such compounds, as well as pharmaceutically acceptable salts and compositions thereof, are useful for treating diseases or conditions, including conditions characterized by excessive cellular proliferation, such as breast cancer.