4-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine | 1254058-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
• 英文别名: 4-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazine-7-amine；4-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazin-7-amine
• CAS: 1254058-95-1
• 化学式: C₁₆H₂₆N₄O
• 分子量: 290.409
• InChiKey: DEXFNZLNFXMNTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  45
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-amino-4-[3-(4-methylpiperazin-1-yl)propyl]-2H-1,4-benzoxazine-3(4H)-one 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成 4-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
  参考文献：
  名称：

  DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND

  摘要：

  提供的是一种化合物，可作为抑制EML4-ALK融合蛋白激酶活性的抑制剂。通过对具有抑制EML4-ALK融合蛋白激酶活性的化合物进行深入广泛的研究，本发明人发现本发明的二氨基杂环羧酰胺化合物对EML4-ALK融合蛋白激酶活性具有抑制作用。通过这一发现，完成了本发明。本发明的化合物可用作预防和/或治疗癌症，如肺癌、非小细胞肺癌和小细胞肺癌的药物组合物。

  公开号：

  US20120040968A1

文献信息

• [EN] BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING<br/>[FR] DÉRIVÉS BENZOXAZINE ET UTILISATION POUR LA TEINTURE DES CHEVEUX
  申请人：OREAL

  公开号：WO2016020490A1

  公开（公告）日：2016-02-11

  The invention relates to the use of a compound of formula (I) below, addition salts thereof, optical isomers, geometrical isomers and tautomers thereof and/or solvates thereof: Formula (I) in which: • R represents a hydrogen atom or a C1-C4 alkyl or C1-C4 hydroxyalkyl radical, preferably a hydrogen atom, • R2, R3, R4 and R5 independently represent: -a hydrogen atom, -a linear C1-C4 or branched C3-C4 alkyl radical, optionally substituted with a hydroxyl radical, • R1 represents a linear C2-C10 or branched C3-C10 alkyl radical, optionally interrupted with one or more heteroatoms chosen from O or S or with one or more groups -NR', said alkyl radical ending with a group -NX1X2 or -OX3 or a radical chosen from: Formula (II) -X1 and X2 independently denote ○ a hydrogen atom ○ a linear C1-C6 alkyl radical or a branched C3-C6 alkyl radical ○ a linear C1-C6 hydroxyalkyl radical or a branched C3-C6 hydroxyalkyl radical, X1 and X2 may form, with the nitrogen atom that bears them, a saturated or unsaturated 5-to 8-membered heterocycle, in which one of the ring members may be a heteroatom chosen from O, S and N; said heterocycle possibly being substituted with one or more linear or branched C1-C4 alkyl, C1-C4 hydroxyalkyl or dimethylamino radicals, -X3 denotes a hydrogen atom or a linear C1-C6 or branched C3-C6 alkyl radical, - R' denotes a hydrogen atom or a linear C1-C4 or branched C3-C4 alkyl radical, for dyeing keratin fibres, especially human keratin fibres such as the hair.

  本发明涉及使用以下式（I）的化合物，其加成盐，光学异构体，几何异构体和其互变异构体和/或溶剂合物：式（I）其中： • R代表氢原子或C1-C4烷基或C1-C4羟基烷基基团，优选为氢原子， • R2、R3、R4和R5独立地代表： - 氢原子， - 直链C1-C4或支链C3-C4烷基基团，可选地用羟基基团取代， • R1代表直链C2-C10或支链C3-C10烷基基团，可选地中断一个或多个来自O或S的杂原子或一个或多个- NR'基团，所述烷基基团末端带有一个- NX1X2或- OX3基团或以下基团之一：式（II） - X1和X2独立地表示 ○ 氢原子 ○ 直链C1-C6烷基基团或支链C3-C6烷基基团 ○ 直链C1-C6羟基烷基基团或支链C3-C6羟基烷基基团，X1和X2可以与带有它们的氮原子形成饱和或不饱和的5至8环杂环，其中环成员之一可以是来自O、S和N的杂原子；所述杂环可能被一个或多个直链或支链C1-C4烷基，C1-C4羟基烷基或二甲基氨基基团取代， - X3表示氢原子或直链C1-C6或支链C3-C6烷基基团， - R'表示氢原子或直链C1-C4或支链C3-C4烷基基团，用于染色角蛋白纤维，特别是人类角蛋白纤维，例如头发。
• [EN] DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND<br/>[FR] COMPOSÉ DE CARBOXAMIDE HÉTÉROCYCLIQUE DIAMINO
  申请人：ASTELLAS PHARMA INC

  公开号：WO2010128659A1

  公开（公告）日：2010-11-11

  式（Ｉ）の化合物又はその塩（式中の記号は以下の意味を表す。 －Ｘ－：式（ＩＩ）又は式（ＩＩＩ）の基、Ａ：－Ｈ、ハロゲン、低級アルキル、シクロアルキル又は低級アルケニル、Ｒ１：置換フェニル、（置換）ヘテロ環又は（置換）二環式縮合環、Ｒ２：（置換）シクロアルキル、（置換）非芳香族ヘテロ環又は（置換）フェニル、（置換）ピリジル又は（置換）低級アルキル、Ｒ３：－Ｈ又は低級アルキル、又は、Ｒ２とＲ３は一体となって環状アミノ基を形成してもよい。）、該化合物を含有するEML4-ALK 融合タンパクのキナーゼ阻害剤、並びに、該化合物の癌治療への用途。

  化合物（I）或其盐（其中符号表示以下含义。 -X-：基于式（II）或式（III），A：-H，卤素，低级烷基，环烷基或低级烯基，R1：取代苯基，（取代）杂环或（取代）二环式缩合环，R2：（取代）环烷基，（取代）非芳香族杂环或（取代）苯基，（取代）吡啶基或（取代）低级烷基，R3：-H或低级烷基，或R2和R3可以结合形成环状氨基基。）的EML4-ALK融合蛋白激酶抑制剂，以及该化合物用于癌症治疗的用途。
• Diamino heterocyclic carboxamide compound
  申请人：Shimada Itsuro

  公开号：US08969336B2

  公开（公告）日：2015-03-03

  Provided is a compound useful as an inhibitor against the kinase activity of EML4-ALK fusion protein. As a result of intensive and extensive studies on compounds having inhibitory activity against the kinase activity of EML4-ALK fusion protein, the present inventors found that the diamino heterocyclic carboxamide compounds of the present invention had inhibitory activity against the kinase activity of EML4-ALK fusion protein. By this finding, the present invention was completed. The compounds of the present invention can be used as a pharmaceutical composition for preventing and/or treating cancer, such as lung cancer, non-small cell lung cancer, and small cell lung cancer.

  提供的是一种化合物，可作为抑制EML4-ALK融合蛋白激酶活性的抑制剂。通过对具有抑制EML4-ALK融合蛋白激酶活性的化合物进行深入和广泛的研究，本发明人发现本发明的二氨基杂环羧酰胺化合物具有抑制EML4-ALK融合蛋白激酶活性的作用。通过这一发现，本发明得以完成。本发明的化合物可用作预防和/或治疗癌症，如肺癌、非小细胞肺癌和小细胞肺癌的药物组合物。
• BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING
  申请人：L'OREAL

  公开号：US20180141922A1

  公开（公告）日：2018-05-24

  The invention relates to the use of a compound of formula (I) below, addition salts thereof, optical isomers, geometrical isomers and tautomers thereof and/or solvates thereof: Formula (I) in which: • R represents a hydrogen atom or a C1-C4 alkyl or C1-C4 hydroxyalkyl radical, preferably a hydrogen atom, • R 2 , R 3 , R 4 and R 5 independently represent: —a hydrogen atom, —a linear C1-C4 or branched C3-C4 alkyl radical, optionally substituted with a hydroxyl radical, • R 1 represents a linear C2-C10 or branched C3-C10 alkyl radical, optionally interrupted with one or more heteroatoms chosen from O or S or with one or more groups —NR′, said alkyl radical ending with a group —NX 1 X 2 or —OX 3 or a radical chosen from: Formula (II) —X 1 and X 2 independently denote ◯ a hydrogen atom ◯ a linear C1-C6 alkyl radical or a branched C3-C6 alkyl radical ◯ a linear C1-C6 hydroxyalkyl radical or a branched C3-C6 hydroxyalkyl radical, X 1 and X 2 may form, with the nitrogen atom that bears them, a saturated or unsaturated 5- to 8-membered heterocycle, in which one of the ring members may be a heteroatom chosen from O, S and N; said heterocycle possibly being substituted with one or more linear or branched C 1 -C 4 alkyl, C 1 -C 4 hydroxyalkyl or dimethylamino radicals, —X 3 denotes a hydrogen atom or a linear C1-C6 or branched C3-C6 alkyl radical, —R′ denotes a hydrogen atom or a linear C1-C4 or branched C3-C4 alkyl radical, for dyeing keratin fibres, especially human keratin fibres such as the hair.
• US8969336B2
  申请人：——

  公开号：US8969336B2

  公开（公告）日：2015-03-03