4-[6-chloro-2-(3-methoxy-phenyl)-pyrimidin-4-yl]-morpholine | 934691-41-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[6-chloro-2-(3-methoxy-phenyl)-pyrimidin-4-yl]-morpholine
• 英文别名: 4-[6-chloro-2-(3-methoxyphenyl)pyrimidin-4-yl]morpholine
• CAS: 934691-41-5
• 化学式: C₁₅H₁₆ClN₃O₂
• 分子量: 305.764
• InChiKey: VYFPGNACQHAPNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[6-chloro-2-(3-methoxy-phenyl)-pyrimidin-4-yl]-morpholine 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 生成 3-(4-chloro-6-morpholin-4-yl-pyrimidin-2-yl)-phenol
  参考文献：
  名称：

  WO2007/42806

  摘要：

  公开号：
• 作为产物：
  描述：

  吗啉 、 4,6-dichloro-2-(3-methoxy-phenyl)-pyrimidine 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 4-[6-chloro-2-(3-methoxy-phenyl)-pyrimidin-4-yl]-morpholine
  参考文献：
  名称：

  WO2007/42806

  摘要：

  公开号：

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、 OR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-( )n、-NHC(O)-( )n-和-C(O)NH-( )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。
• [EN] PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRIMIDINE POUR LE TRAITEMENT DU CANCER
  申请人：LUDWIG INST CANCER RES

  公开号：WO2007042806A1

  公开（公告）日：2007-04-19

  [EN] The invention provides compounds which are pyrimidines of formula (I): wherein -XR³ is bonded at ring position 2 and -YR⁴ is bonded at ring position 5 or 6; R¹ and R² form, together with the N atom to which they are attached, a morphorine ring which is unsubstituted or substituted; X is a direct bond; R³ is 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, CH2ORand -NRS(O) mR , wherein each R is independently selected from H, C₁- C₆ alkyl, C₃ - C₁₀ 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-(CH₂)_n-, -NH-(CH₂)_n,-, -NHC(O)-(CH₂)_n- and -C(O)NH-(CH₂)_n- wherein n is 0 or an integer of 1 to 3, and R⁴ is selected from an unsaturated 5- to 12-membered carbocyclic or heterocyclic group which is unsubstituted or substituted and a group -NR⁵R⁶ wherein R⁵ and R⁶, which are the same or different, are each independently selected from H, C₁-C₆ alkyl which is unsubstituted or substituted, C₃ - C₁₀ cycloalkyl which is unsubstituted or substituted, -C(O)R, -C(O)N(R)₂ and -S(O)_mR wherein R and m are as defined above, or R⁵ 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.
  [FR] la présente invention a trait à des composés qui sont des pyrimidines de formule (I): dans laquelle -XR³ est lié au noyau en position 2 et -YR⁴ est lié au noyau en position 5 ou 6; R¹ et R₂ forment, ensemble avec l'atome d'azote auquel ils sont liés, un noyau morpholine substitué ou non substitué; X est une liaison directe; R³ est choisi parmi (i) un groupe de la formule (1): dans laquelle B est un noyau phényle substitué ou non substitué et Z est choisi parmi -OR, CH2OR et -NRS(O) mR, dans laquelle chaque R est indépendamment choisi parmi H, alkyle en C₁-C₆, cycloalkyle en C₃-C₁₀ et un groupe aryle ou hétéroaryle de 5 à 12 chaînons, le groupe étant substitué ou non substitué, et m est 2; et (ii) un groupe indazole substitué ou non substitué; et Y est choisi parmi -O-(CH₂)_n-, -NH-(CH₂)_n,-, -NHC(O)-(CH₂)_n- et -C(O)NH-(CH₂)_n-, où n est 0 ou un nombre entier de 1 à 3, et R⁴ est choisi parmi un groupe carbocyclique ou hétérocyclique de 5 à 12 chaînons substitué ou non substitué et un groupe -NR⁵R⁶ où R⁵ et R⁶, identiques ou différents, sont chacun indépendamment choisi parmi H, alkyle en C₁-C₆ substitué ou non substitué, cycloalkyle en C₃-C₁₀ substitué ou non substitué, -C(O)R, -C(O)N(R)₂ and -S(O)_mR où R est m sont tels que définis ci-dessus, ou R⁵ et R⁶ ensemble forment, avec l'atome d'azote auquel ils sont liés, un groupe hétérocyclique azoté de 5, 6 ou 7 chaînons substitué ou non substitué; ainsi que les sels pharmaceutiquement acceptables de ceux-ci. Ces composés sont inhibiteurs de PI3K et peuvent donc être utilisés pour le traitement de maladies et troubles provoqués par une croissance cellulaire anormale, une fonction ou un comportement associé à la kinase PI3 tels que le cancer, les troubles immuns, la maladie cardio-vasculaire, l'infection virale, l'inflammation, de troubles du métabolisme/de la fonction endocrinienne et de troubles neurologiques.