4-(3-hydrazinylphenyl)morpholine | 788822-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-(3-hydrazinylphenyl)morpholine
• 英文别名: (3-morpholin-4-yl-phenyl)-hydrazine；(3-morpholin-4-yl-phenyl)-hydrazine hydrochloride；(3-morpholin-4-ylphenyl)hydrazine
• CAS: 788822-19-5
• 化学式: C₁₀H₁₅N₃O
• mdl: MFCD07786632
• 分子量: 193.249
• InChiKey: NHVRUCCVUJWWPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  50.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(3-hydrazinylphenyl)morpholine 、 N-cyano-N'-(3,4,5-trimethoxyphenyl)-O-phenylisourea 生成 1-(3-morpholin-4-yl-phenyl)-N3-(3,4,5-trimethoxy-phenyl)-1H-[1,2,4]triazole-3,5-diamine
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of a Novel Dual Fms-Like Tyrosine Kinase 3/Stem Cell Factor Receptor (FLT3/c-KIT) Inhibitor for the Treatment of Acute Myelogenous Leukemia

  摘要：

  A high-throughput screen of our compound archive revealed a novel class of dual FMS-like tyrosine kinase 3 (FLT3)/c-KIT inhibitors. With the help of molecular modeling, this class was rapidly optimized for both potency against FLT3 and FLT3/c-KIT and excellent potency in cell-based assays, leading to dose-dependent cell death in acute myelogenous leukemia (AML) patient blast samples. Ultimately, the AML patient blast data defined the preferred target profile as we designed and evaluated a set of FLT3 selective and FLT3/c-KIT dual molecules. Further optimization for pharmacokinetic properties resulted in the selection of the dual FLT3/c-KIT inhibitor, N-3-(4-(trans-4-morpholinocyclohexyl)phenyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-3,5-diamine, VX-322 (compound 37), to move forward to preclinical evaluation.

  DOI：

  10.1021/jm200712h
• 作为产物：
  描述：

  3-(4-吗啉基)苯胺 在 盐酸 、 sodium nitrite 、 水 、 tin(ll) chloride 作用下， 反应 1.17h， 以79%的产率得到4-(3-hydrazinylphenyl)morpholine
  参考文献：
  名称：

  Compounds

  摘要：

  化合物的化学式I： A-B-C  (I) 及其异构体、盐、溶剂合物、化学保护形式和前药，其中： B选自以下组合： 其中R N 为H或Me； 或B是含有一个或两个环异原子的二价C 5 杂环残基； A为： R A3 和R A5 独立选择自卤、OR O 和R AC ，其中R O 为H或Me，R AC 为H或C 1-4 烷基； X A 选自N和CR A4 ，其中R A4 选自H、OR O 、CH 2 OH、CO 2 H、NHSO 2 Me和NHCOMe； R A2 和R A6 独立选择自H、卤素和OR O ； 或R A3 和R A4 与它们连接的碳原子一起，或RA2和R A3 与它们连接的碳原子一起，可形成含有至少一个氮环原子的C 5-6 杂环或杂芳环； 如果X不是N，则R A2 至R A6 中的1、2或3个不是H； C为： 其中X选自N和CH，Y选自N和CH，Z选自N和CR C6 ； R C3 选自H、卤素和可选择性取代的含氮C 5-7 杂环基； R C5 为以下组合之一： 该组合可由一个或两个C 1-4 烷基或一个羧基选择； R C6 为H； 或者，当X和Y为N时，R C5 和R C6 （当Z为CR C6 时）与它们连接的碳原子可形成所选自的融合C 6 芳香环之一：

  公开号：

  US20060199804A1
• 作为试剂：
  描述：

  3-(4-吗啉基)苯胺 、 sodium nitrite 、 氯化亚锡二水合物 、 sodium hydroxide 在 乙酸乙酯 、 4-(3-hydrazinylphenyl)morpholine 作用下， 以 盐酸 为溶剂， 反应 1.17h， 以to give the desired product (0.15 g, 79.0%) (3-Morpholin-4-yl-phenyl)-hydrazine的产率得到4-(3-hydrazinylphenyl)morpholine
  参考文献：
  名称：

  mTOR inhibitor compounds

  摘要：

  本文提供了公式I：A-B-C及其异构体、盐、溶剂合物、化学保护形式和前药，其中变量A、B和C在此定义，这些化合物作为mTor抑制剂。

  公开号：

  US07504397B2

文献信息

• Compounds
  申请人：Hummersone Geoffrey Marc

  公开号：US20060199804A1

  公开（公告）日：2006-09-07

  Compounds of formula I: A-B-C  (I) and isomers, salts, solvates, chemically protected forms, and prodrugs thereof wherein: B is selected from the group consisting of: where R N is H or Me; or B is a divalent C 5 heterocyclic residue containing one or two ring heteroatoms; A is: R A3 and R A5 are independently selected from halo, OR O and R AC , where R O is H or Me, and R AC is H or C 1-4 alkyl; X A is selected from N and CR A4 , where R A4 is selected from H, OR O , CH 2 OH, CO 2 H, NHSO 2 Me and NHCOMe; R A2 and R A6 are independently selected from H, halo and OR O ; or R A3 and R A4 together with the carbon atoms to which they are attached, or RA2 and R A3 together with the carbon atoms to which they are attached, may form a C 5-6 heterocylic or heteroaromatic ring, containing at least one nitrogen ring atom; where if X is not N, 1, 2, or 3 of R A2 to R A6 are not H; C is: where X is selected from N and CH, Y is selected from N and CH, and Z is selected from N and CR C6 ; R C3 is selected from H, halo and an optionally substituted N-containing C 5-7 heterocyclic group; R C5 is a group selected from: which group may be selected by one or two C 1-4 alkyl groups or a carboxy group; R C6 is H; or, when X and Y are N, R C5 and R C6 (when Z is CR C6 ) together with the carbon atoms to which they are attached may form a fused C 6 aromatic ring selected from the group consisting of:

  化合物的化学式I： A-B-C  (I) 及其异构体、盐、溶剂合物、化学保护形式和前药，其中： B选自以下组合： 其中R N 为H或Me； 或B是含有一个或两个环异原子的二价C 5 杂环残基； A为： R A3 和R A5 独立选择自卤、OR O 和R AC ，其中R O 为H或Me，R AC 为H或C 1-4 烷基； X A 选自N和CR A4 ，其中R A4 选自H、OR O 、CH 2 OH、CO 2 H、NHSO 2 Me和NHCOMe； R A2 和R A6 独立选择自H、卤素和OR O ； 或R A3 和R A4 与它们连接的碳原子一起，或RA2和R A3 与它们连接的碳原子一起，可形成含有至少一个氮环原子的C 5-6 杂环或杂芳环； 如果X不是N，则R A2 至R A6 中的1、2或3个不是H； C为： 其中X选自N和CH，Y选自N和CH，Z选自N和CR C6 ； R C3 选自H、卤素和可选择性取代的含氮C 5-7 杂环基； R C5 为以下组合之一： 该组合可由一个或两个C 1-4 烷基或一个羧基选择； R C6 为H； 或者，当X和Y为N时，R C5 和R C6 （当Z为CR C6 时）与它们连接的碳原子可形成所选自的融合C 6 芳香环之一：
• Diaminotriazoles useful as inhibitors of protein kinases
  申请人：——

  公开号：US20040214817A1

  公开（公告）日：2004-10-28

  The present invention relates to inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及蛋白激酶抑制剂。本发明还提供了包含本发明化合物的制药组合物以及使用该组合物治疗各种疾病的方法。
• DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：Pierce C. Albert

  公开号：US20080014189A1

  公开（公告）日：2008-01-17

  The present invention relates to inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及蛋白激酶抑制剂。该发明还提供了包含本发明化合物的药物组合物以及使用该组合物治疗各种疾病的方法。
• COMPOUNDS
  申请人：Hummersone Marc Geoffrey

  公开号：US20100130473A1

  公开（公告）日：2010-05-27

  Compounds of formula (I): A-B—C and isomers, salts, solvates, chemically protected forms, and prodrugs thereof wherein: B is selected from the group consisting of formula (i) where R N is H or Me; or B is a divalent C 5 heterocyclic residue containing one or two ring heteroatoms; A is formula (ii) R A3 and R A5 are independently selected from halo, OR O and R AC , where R O is H or Me, and R AC is H or C 1-4 alkyl; X A is selected from N and CR A4 , where R A4 is selected from H, OR O , CH 2 OH, CO 2 H, NHSO 2 Me and NHCOMe; R A2 and R A6 are independently selected from H, halo and OR O ; or R A3 and R A4 together with the carbon atoms to which they are attached, or RA2 and R A3 together with the carbon atoms to which they are attached, may form a C 5-6 heterocylic or heteroaromatic ring, containing at least one nitrogen ring atom; where if X is not N, 1, 2, or 3 of R A2 to R A6 are not H; C is formula (iii) where X is selected from N and CH, Y is selected from N and CH, and Z is selected from N and CR C6 ; R C3 is selected from H, halo and an optionally substituted N-containing C 5-7 heterocyclic group; R C5 is a group selected from formula (iv) which group may be selected by one or two C 1-4 alkyl groups or a carboxy group; R C6 is H; or, when X and Y are N, R C5 and R C6 (when Z is CR C6 ) together with the carbon atoms to which they are attached may form a fused C 6 aromatic ring selected from the group consisting of formula (v).

  化合物的化学式（I）：A-B-C及其异构体，盐，溶剂合物，化学保护形式和前药，其中：B选自式（i）的群，其中RN为H或Me；或B是含有一个或两个环杂原子的二价C5杂环残基；A为式（ii）RA3和RA5分别独立选择自卤，ORO和RAC，其中RO为H或Me，而RAC为H或C1-4烷基；XA选自N和CRA4，其中RA4选自H，ORO，CH2OH，CO2H，NHSO2Me和NHCOMe；RA2和RA6分别独立选择自H，卤和ORO；或RA3和RA4与它们附着的碳原子一起，或RA2和RA3与它们附着的碳原子一起，可以形成一个含有至少一个氮环原子的C5-6杂环或杂芳烃环；如果XA不是N，则RA2至RA6中的1、2或3个不是H；C为式（iii）其中X选自N和CH，Y选自N和CH，Z选自N和CRC6；RC3选自H，卤和一个可选取代的含N的C5-7杂环基团；RC5是从式（iv）中选择的一个或两个C1-4烷基或羧基；RC6为H；或当X和Y为N时，RC5和RC6（当Z为CRC6时）与它们附着的碳原子一起可以形成所选自式（v）的群中的融合C6芳香环。
• [EN] DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES<br/>[FR] DIAMINOTRIAZOLES CONVENANT COMME INHIBITEURS DE PROTEINE KINASES
  申请人：VERTEX PHARMA

  公开号：WO2004046120A3

  公开（公告）日：2004-08-12