4-[2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine | 892870-77-8

• 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-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine
• 英文别名: 4-(2-pyrrolidin-1-yl-ethyl)-3,4-dihydro-2H-benzo[1,4]oxazin-7-ylamine；4-(2-Pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazin-7-amine
• CAS: 892870-77-8
• 化学式: C₁₄H₂₁N₃O
• 分子量: 247.34
• InChiKey: QZBFTLLIGDFZRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 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-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-7-amine 、 methyl thiophene-2-carbimidothioate hydroiodide 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 72.0h， 生成 N-(4-(2-(pyrrolidin-1-yl)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）的苯并噁嗪，苯并噻嗪和相关化合物，特别是那些选择性地抑制神经一氧化氮合酶（nNOS）而不是其他NOS同工型的化合物。本发明的NOS抑制剂，单独或与其他药用活性剂结合使用，可用于治疗或预防各种医疗状况。

  公开号：

  US20100009975A1
• 作为产物：
  描述：

  7-nitro-4-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-benzo[1,4]oxazine 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 4-[2-(pyrrolidin-1-yl)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）的苯并噁嗪，苯并噻嗪和相关化合物，特别是那些选择性地抑制神经一氧化氮合酶（nNOS）而不是其他NOS同工型的化合物。本发明的NOS抑制剂，单独或与其他药用活性剂结合使用，可用于治疗或预防各种医疗状况。

  公开号：

  US20100009975A1

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。
• THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS
  申请人：Amegadzie Albert Kudzovi

  公开号：US20090233919A1

  公开（公告）日：2009-09-17

  The present invention relates to a melanin concentrating hormone antagonist compound of formula (I); wherein w, R 1 , q, p, R 2 , t, Ar 1 , L 1 , R 3 and R 4 are as defined, or a pharmaceutically acceptable salt, solvate, or enantiomer thereof useful in the treatment, prevention or amelioration of symptoms associated with obesity and related diseases.

  本发明涉及一种公式（I）的黑色素浓集激素拮抗剂化合物；其中w，R1，q，p，R2，t，Ar1，L1，R3和R4如定义所述，或其药学上可接受的盐，溶剂和对映体，用于治疗，预防或缓解与肥胖和相关疾病相关的症状。
• 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.
• US7902356B2
  申请人：——

  公开号：US7902356B2

  公开（公告）日：2011-03-08
• US8106043B2
  申请人：——

  公开号：US8106043B2

  公开（公告）日：2012-01-31