4-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine | 1082810-03-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
• 英文别名: 4-(2-(dimethylamino)ethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-amine；4-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-7-amine
• CAS: 1082810-03-4
• 化学式: C₁₂H₁₉N₃O
• 分子量: 221.302
• InChiKey: ALNUBAYOMJHGRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine 、 methyl thiophene-2-carbimidothioate hydroiodide 在 二氯甲烷 、 Sodium sulfate-III 作用下， 以 乙醇 、 碳酸氢钠 为溶剂， 反应 16.0h， 以CH2Cl2, to give a yellow solid (150 mg, 54%)的产率得到N-(4-(2-(dimethylamino)ethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)thiophene-2-carboximidamide
  参考文献：
  名称：

  Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity

  摘要：

  本发明涉及抑制一氧化氮合酶（NOS）的苯并噻嗪，特别是那些选择性抑制神经元一氧化氮合酶（nNOS）而不是其他NOS亚型的化合物，其化学式为：本发明的NOS抑制剂可以单独或与其他药物活性剂联合使用，用于治疗或预防各种医疗状况。

  公开号：

  US08106043B2
• 作为产物：
  描述：

  N,N-dimethyl-2-(7-nitro-2H-benzo[b][1,4]oxazin-4(3H)-yl)ethanamine 在 钯 乙醇 、 氢气 作用下， 反应 3.0h， 以to give crude 4-(2-(dimethylamino)ethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-amine的产率得到4-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
  参考文献：
  名称：

  Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity

  摘要：

  本发明涉及抑制一氧化氮合酶（NOS）的苯并噻嗪，特别是那些选择性抑制神经元一氧化氮合酶（nNOS）而不是其他NOS亚型的化合物，其化学式为：本发明的NOS抑制剂可以单独或与其他药物活性剂联合使用，用于治疗或预防各种医疗状况。

  公开号：

  US08106043B2

文献信息

• [EN] PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE<br/>[FR] DÉRIVÉ DE PYRIMIDO-PYRIMIDO-INDAZOLE
  申请人：BANYU PHARMA CO LTD

  公开号：WO2010098367A1

  公开（公告）日：2010-09-02

  The invention is to provide a novel anticancer agent or sensitizer for cancer chemotherapy or radiotherapy. A compound of a general formula (I): wherein A means an aryl group or a heteroaryl group, or a group of a formula (a):; R1 means a -(C=O)aOb(C1-C6)alkyl group, a -(C=O)aOb(C2-C6)alkenyl group, a -(C=O)aOb(C3-C6)cycloalkyl group, an aryl group or a heteroaryl group; R2 and R3 each mean a hydrogen atom, a halogen atom, a hydroxyl group, a carboxyl group, a -(C=O)aOb(C1-C6)alkyl group or a group of -(C=O)aN(R1e)R2e; R4 means a hydrogen atom or a (C1-C6)alkyl group, and the like have an excellent Wee1-kinase-inhibitory effect, and are therefore useful in the field of medicine, especially in the field of various cancer treatments.

  这项发明是为了提供一种新型的抗癌药物或增敏剂，用于癌症化疗或放疗。通式(I)的化合物：其中A表示芳基或杂环基，或者是式(a)的基团；R1表示-(C=O)aOb(C1-C6)烷基、-(C=O)aOb(C2-C6)烯基、-(C=O)aOb(C3-C6)环烷基、芳基或杂环基；R2和R3各自表示氢原子、卤素原子、羟基、羧基、-(C=O)aOb(C1-C6)烷基或-(C=O)aN(R1e)R2e的基团；R4表示氢原子或(C1-C6)烷基等，具有优异的Wee1激酶抑制作用，因此在医学领域特别是各种癌症治疗领域中非常有用。
• [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。
• Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity
  申请人：NeurAxon, Inc.

  公开号：US08106043B2

  公开（公告）日：2012-01-31

  The present invention features benzothiazines that inhibit nitric oxide synthase (NOS), particularly those that selectively inhibit neuronal nitric oxide synthase (nNOS) in preference to other NOS isoforms, and that have the formula: The NOS inhibitors of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing various medical conditions.

  本发明涉及抑制一氧化氮合酶（NOS）的苯并噻嗪，特别是那些选择性抑制神经元一氧化氮合酶（nNOS）而不是其他NOS亚型的化合物，其化学式为：本发明的NOS抑制剂可以单独或与其他药物活性剂联合使用，用于治疗或预防各种医疗状况。
• PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE
  申请人：Goto Yasuhiro

  公开号：US20120134955A1

  公开（公告）日：2012-05-31

  The invention is to provide a novel anticancer agent or sensitizer for cancer chemotherapy or radiotherapy. A compound of a general formula (I): wherein A means an aryl group or a heteroaryl group, or a group of a formula (a):; R 1 means a —(C═O) a O b (C1-C6)alkyl group, a —(C═O) a O b (C2-C6)alkenyl group, a —(C═O) a O b (C3-C6)cycloalkyl group, an aryl group or a heteroaryl group; R 2 and R 3 each mean a hydrogen atom, a halogen atom, a hydroxyl group, a carboxyl group, a —(C═O) a O b (C1-C6)alkyl group or a group of —(C═O) a N(R 1e )R 2e ; R 4 means a hydrogen atom or a (C1-C6)alkyl group, and the like have an excellent Wee 1-kinase-inhibitory effect, and are therefore useful in the field of medicine, especially in the field of various cancer treatments.

  本发明提供一种新型的抗癌剂或增敏剂，用于癌症化疗或放疗。该化合物的一般式（I）如下：其中，A表示芳基或杂环基，或式（a）的基团；R1表示—（C═O）aOb（C1-C6）烷基，—（C═O）aOb（C2-C6）烯基，—（C═O）aOb（C3-C6）环烷基，芳基或杂环基；R2和R3各表示氢原子、卤素原子、羟基、羧基、—（C═O）aOb（C1-C6）烷基或—（C═O）aN（R1e）R2e基团；R4表示氢原子或（C1-C6）烷基等。该化合物具有出色的Wee 1-激酶抑制作用，因此在医学领域，特别是各种癌症治疗领域中非常有用。
• 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.