(S)-2-chloro-4-(3-methylmorpholino)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine | 1393712-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 英文名称: (S)-2-chloro-4-(3-methylmorpholino)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
• 英文别名: (3S)-4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)-3-methylmorpholine
• CAS: 1393712-35-0
• 化学式: C₁₂H₁₆ClN₃OS
• 分子量: 285.798
• InChiKey: VSWOUPGJRIRGLM-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-chloro-4-(3-methylmorpholino)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 在 oxone(R) 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (S)-2-chloro-4-(3-methylmorpholino)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
  参考文献：
  名称：

  Conformationally-restricted cyclic sulfones as potent and selective mTOR kinase inhibitors

  摘要：

  Novel conformationally-restricted mTOR kinase inhibitors with cyclic sulfone scaffold were designed. Synthesis and structure-activity relationship (SAR) studies are described with emphasis on optimization of the mTOR potency and selectivity against class I PI3K alpha kinase. PF-05139962 was identified with excellent mTOR biochemical inhibition, cellular potency, kinase selectivity and in vitro ADME properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.104
• 作为产物：
  描述：

  1,5,7,8‐tetrahydro‐2H‐thiopyrano[4,3‐d]pyrimidine‐2,4(3H)‐dione 在 potassium carbonate 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-2-chloro-4-(3-methylmorpholino)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
  参考文献：
  名称：

  Conformationally-restricted cyclic sulfones as potent and selective mTOR kinase inhibitors

  摘要：

  Novel conformationally-restricted mTOR kinase inhibitors with cyclic sulfone scaffold were designed. Synthesis and structure-activity relationship (SAR) studies are described with emphasis on optimization of the mTOR potency and selectivity against class I PI3K alpha kinase. PF-05139962 was identified with excellent mTOR biochemical inhibition, cellular potency, kinase selectivity and in vitro ADME properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.104

文献信息

• [EN] MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS<br/>[FR] DÉRIVÉS URÉE OU CARBAMATE DE PYRIMIDINE BICYCLIQUE À SUBSTITUTION MORPHOLINO EN TANT QU'INHIBITEURS DE MTOR
  申请人：CELLZOME LTD

  公开号：WO2013050508A1

  公开（公告）日：2013-04-11

  The invention relates to compounds of formula (I) wherein m, o, Ra, Rb, R1 and T1 have the meaning as cited in the description and the claims. Said compounds are useful as inhibitors of mTOR for the treatment or prophylaxis of mTOR related diseases and disorders. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  该发明涉及式(I)的化合物，其中m、o、Ra、Rb、R1和T1的含义如描述和权利要求中所述。所述化合物可用作mTOR的抑制剂，用于治疗或预防与mTOR相关的疾病和紊乱。该发明还涉及包括所述化合物的药物组合物，以及制备此类化合物以及用作药物的用途。
• MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS
  申请人：CELLZOME LIMITED

  公开号：US20140288066A1

  公开（公告）日：2014-09-25

  The invention relates to compounds of formula (I) wherein m, o, R a , R b , R 1 and T 1 have the meaning as cited in the description and the claims. The compounds are useful as inhibitors of mTOR for the treatment or prophylaxis of mTOR related diseases and disorders. The invention also relates to pharmaceutical compositions including the compounds, the preparation of the compounds as well as their use as medicaments.

  本发明涉及式（I）化合物，其中m，o，Ra，Rb，R1和T1的含义如说明书和权利要求所述。该化合物可用作mTOR的抑制剂，用于治疗或预防与mTOR相关的疾病和障碍。本发明还涉及包括该化合物的制药组合物、该化合物的制备以及其作为药物的用途。
• Morpholino substituted bicyclic pyrimidine urea or carbamate derivatives as mTOR inhibitors
  申请人：CELLZOME LIMITED

  公开号：US09242993B2

  公开（公告）日：2016-01-26

  The invention relates to compounds of formula (I) wherein m, o, Ra, Rb, R1 and T1 have the meaning as cited in the description and the claims. The compounds are useful as inhibitors of mTOR for the treatment or prophylaxis of mTOR related diseases and disorders. The invention also relates to pharmaceutical compositions including the compounds, the preparation of the compounds as well as their use as medicaments.

  本发明涉及式(I)的化合物，其中m、o、Ra、Rb、R1和T1的含义如说明书和权利要求中所述。该化合物可用于治疗或预防与mTOR相关的疾病和障碍，是mTOR的抑制剂。本发明还涉及包括该化合物的制药组合物，该化合物的制备以及其作为药物的用途。
• {(4-(4-MORPHOLINO-DIHYDROTHIENO[3,4-D]PYRIMIDIN-2-YL)ARYL}UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS
  申请人：Cellzome Limited

  公开号：EP2763985B1

  公开（公告）日：2016-06-22
• US9242993B2
  申请人：——

  公开号：US9242993B2

  公开（公告）日：2016-01-26