1-氨基-2-(4-苄氧基-苯基)-2-丙醇 | 305448-20-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-氨基-2-(4-苄氧基-苯基)-2-丙醇
• 中文别名: 1-氨基-2-(4-苄基-苯基)异丙醇
• 英文名称: 1-amino-2-[4-(phenylmethoxy)phenyl]propan-2-ol
• 英文别名: 1-amino-2-(4-benzyloxy-phenyl)-propan-2-ol；1-Amino-2-(4-(benzyloxy)phenyl)propan-2-ol；1-amino-2-(4-phenylmethoxyphenyl)propan-2-ol
• CAS: 305448-20-8
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: NGLFEEFBKRFPCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  1-氨基-2-(4-苄氧基-苯基)-2-丙醇 、 丙基磺酰氯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 以50%的产率得到{2-hydroxy-2-[4-(phenylmethoxy)phenyl]propyl}[(methylethyl)sulfonyl]amine
  参考文献：
  名称：

  Method of treating stroke

  摘要：

  本发明提供了一种治疗中风的方法，包括向患者施用有效量的以下化合物或其药用盐。

  公开号：

  US20040063680A1
• 作为产物：
  描述：

  1-amino-2-[4-(phenylmethoxy)phenyl]propan-2-ol hydrochloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 1-氨基-2-(4-苄氧基-苯基)-2-丙醇
  参考文献：
  名称：

  Monofluoroalkyl derivatives

  摘要：

  本发明提供了一些单氟代烷基衍生物，这些衍生物可用于增强哺乳动物中的谷氨酸受体功能，因此可用于治疗各种疾病，如精神和神经障碍。

  公开号：

  US07034045B1

文献信息

• [EN] (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS<br/>[FR] DÉRIVÉS DE (THIO)MORPHOLINE MODULATEURS DE S1P
  申请人：ABBOTT HEALTHCARE PRODUCTS BV

  公开号：WO2011023795A1

  公开（公告）日：2011-03-03

  The present invention relates to (thio)morpholine derivatives of the formula (I), wherein R1 is selected from cyano, (2-4C)alkynyl, (1-4C)alkyl, (3-6C)cycloalkyl, (4-6C)cycloalkenyl, (6-8C)bicycloalkyl, (8-10C)bicyclic group, each optionally substituted with (1-4C)alkyl, phenyl, biphenyl, naphthyl, each optionally substituted with one or more substituents independently selected from halogen, (1-4C)alkyloptionally substituted with one or more fluoro atoms, (2-4C)alkynyl, (1-4C)alkoxy optionally substituted with one or more fluoro atoms,amino, di(1-4C)alkylamino, -SO2-(1-4C)alkyl, -CO-(1-4C)alkyl, -CO-O-(1-4C)alkyl, -NH-CO-(1-4C)alkyl and (3-6C)cycloalkyl, phenyl substituted with phenoxy, benzyl, benzyloxy, phenylethyl or monocyclic heterocycle, each optionally substituted with (1-4C)alkyl, monocyclic heterocycle optionally substituted with halogen, (1-4C)alkyl or with phenyl optionally substituted with (1-4C)alkyl, and bicyclic heterocycle optionally substituted with (1-4C)alkyl; A is selected from -CO-O-, -O-CO-, -NH-CO-, -CO-NH, -C=C-, -CCH3-O- and the linking group –Y-(CH2)n-X- wherein Y is attached to R1 and selected from a bond, -O-, -S-, -SO-, -SO2-, -CH2-O-, -CO-, -O-CO-, -CO-O-, -CO-NH-, -NH-CO-, -C=C-and -C≡C-; n is an integer from 1 to 10; and X is attached to the phenylene / pyridyl group and selected from a bond, -O-, -S-, -SO-, -SO2 -, -NH, -CO-, -C=C-and -C≡C-; ring structure B optionally contains one nitrogen atom; R2 is H, (1-4C)alkyl optionally substituted with one or more fluoro atoms, (1-4C)alkoxy optionally substituted with one or more fluoro atoms, or halogen; and R3 is (1-4C)alkylene-R5 wherein the alkylene group may be substituted with (CH2)2 to form a cyclopropyl moiety or one or two halogen atoms, or R3 is is (3-6C)cycloalkylene-R5 or -CO-CH2-R5, wherein R5 is -OH, -PO3H2, -OPO3H2, -COOH, -COO(1-4C)alkyl or tetrazol-5-yl; R4 is H or (1-4C)alkyl; R6 is one or more substituents independently selected from H, (1-4C)alkyl or oxo; W is -O-, -S-, -SO- or -SO2-; or a pharmaceutically acceptable salt, a solvate or hydrate thereof; with the proviso that the derivative of formula (I) is not 2-(4-ethylphenyl)-4-morpholinoethanol or 4-[4-(2-hydroxyethyl)-2-morpholinyl]benzeneacetonitrile or a pharmaceutically acceptable salt, a solvate or hydrate thereof. The compounds of the invention have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of S1P receptor mediated diseases and conditions.

  本发明涉及公式（I）的（硫）吗啉衍生物，其中R1从氰基，（2-4C）炔基，（1-4C）烷基，（3-6C）环烷基，（4-6C）环烯基，（6-8C）双环烷基，（8-10C）双环基团中选择，每个基团可选择地取代为（1-4C）烷基，苯基，联苯基，萘基，每个基团可选择地取代为一个或多个取代基，独立选择自卤素，（1-4C）烷基可选择地取代为一个或多个氟原子，（2-4C）炔基，（1-4C）氧烷基可选择地取代为一个或多个氟原子，氨基，二（1-4C）烷基氨基，-SO2-（1-4C）烷基，-CO-（1-4C）烷基，-CO-O-（1-4C）烷基，-NH-CO-（1-4C）烷基和（3-6C）环烷基，苯基取代为苯氧基，苄基，苄氧基，苯乙基或单环杂环烃，每个基团可选择地取代为（1-4C）烷基，单环杂环烃可选择地取代为卤素，（1-4C）烷基或取代为苯基的苯基，可选择地取代为（1-4C）烷基，和双环杂环烃可选择地取代为（1-4C）烷基；A从-CO-O-，-O-CO-，-NH-CO-，-CO-NH，-C=C-，-CCH3-O-和连接基-Y-（CH2）n-X-中选择，其中Y连接到R1并从键，-O-，-S-，-SO-，-SO2-，-CH2-O-，-CO-，-O-CO-，-CO-O-，-CO-NH-，-NH-CO-，-C=C-和-C≡C-中选择；n是1到10的整数；X连接到苯基/吡啶基团并从键，-O-，-S-，-SO-，-SO2-，-NH，-CO-，-C=C-和-C≡C-中选择；环结构B可选择地含有一个氮原子；R2是H，（1-4C）烷基可选择地取代为一个或多个氟原子，（1-4C）氧烷基可选择地取代为一个或多个氟原子，或卤素；R3是（1-4C）烷基-R5，其中烷基基团可取代为（CH2）2形成环丙基基团或一个或两个卤素原子，或R3是（3-6C）环烷基-R5或-CO-CH2-R5，其中R5是-OH，-PO3H2，-OPO3H2，-COOH，-COO（1-4C）烷基或四唑-5-基；R4是H或（1-4C）烷基；R6是一个或多个取代基，独立选择自H，（1-4C）烷基或氧代基；W是-O-，-S-，-SO-或-SO2-；或其药学上可接受的盐，溶剂或水合物；但是，公式（I）的衍生物不是2-（4-乙基苯基）-4-吗啉乙醇或4-[4-（2-羟乙基）-2-吗啉基]苯乙腈或其药学上可接受的盐，溶剂或水合物。本发明的化合物具有对S1P受体的亲和力，可用于治疗、缓解或预防S1P受体介导的疾病和症状。
• [EN] BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS<br/>[FR] DÉRIVÉS BISARYL (THIO)MORPHOLINES MODULATEURS DE S1P
  申请人：ABBOTT HEALTHCARE PRODUCTS BV

  公开号：WO2012004375A1

  公开（公告）日：2012-01-12

  The present invention relates to bisaryl (thio)morpholine derivatives of the formula (I) wherein R1 is an aryl substitutent selected from phenyl, pyridyl, pyrimidinyl, biphenyl and naphthyl, each optionally substituted with one or more substituents independently selected from halogen, (1-6C)alkyl optionally substituted with one or more fluoro atoms, (1-4C)alkoxy optionally substituted with one or more fluoro atoms, amino, di(1-4C)alkylamino, -SO2-(1-4C)alkyl, -CO-(1-4C)alkyl, -CO-O-(1-4C)alkyl and -NH-CO-(1-4C)alkyl, or substituted with phenoxy, benzyl, benzyloxy, phenylethyl or morpholinyl, each optionally substituted with (1-4C)alkyl, and (8-10C)bicyclic group, bicyclic heterocycle, each optionally substituted with (1-4C)alkyl optionally substituted with one or more fluoro atoms or oxo; A is selected from -CO-, -NH-, -O-, -S-, -SO- or -SO2-; ring structure B optionally contains one nitrogen atom; R2 is H, (1-4C)alkyl optionally substituted with one or more fluoro atoms, (1-4C)alkoxy optionally substituted with one or more fluoro atoms, or halogen; and R3 is (1-4C)alkylene-R6 wherein the alkylene group may be substituted with (CH2)2 to form a cyclopropyl moiety or with one or more halogen atoms, or R3 is (3-6C)cycloalkylene-R5 or -CO-CH2-R6, wherein R6 is -OH, -PO3H2, -OPO3H2, -COOH, -COO(1-4C)alkyl or tetrazol-5-yl; R4 is H or (1-4C)alkyl; R5 is one or more substituents independently selected from H, (1-4C)alkyl or oxo; W is -O-, -S-, -SO- or -SO2-; or a pharmaceutically acceptable salt, a solvate or hydrate thereof, with the proviso that the derivative of formula (I) is not 2-[4-(4-chlorophenoxy)-2-chloro-phenyl]-4-morpholineethanol. The compounds of the invention have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of S1P receptor mediated diseases and conditions.

  本发明涉及公式（I）的双芳基（硫）吗啡啉衍生物，其中R1是从苯基、吡啶基、嘧啶基、联苯基和萘基中选择的芳基取代基，每个基可选择地取代一个或多个从卤素、（1-6C）烷基（可选择地取代一个或多个氟原子）、（1-4C）氧烷基（可选择地取代一个或多个氟原子）、氨基、二（1-4C）烷基氨基、-SO2-（1-4C）烷基、-CO-（1-4C）烷基、-CO-O-（1-4C）烷基和-NH-CO-（1-4C）烷基中独立选择的取代基，或取代有苯氧基、苄基、苄氧基、苯乙基或吗啡啉基的基，每个基可选择地取代（1-4C）烷基和（8-10C）双环基团、双环杂环基，每个基可选择地取代一个或多个氟原子或氧代基；A从-CO-、-NH-、-O-、-S-、-SO-或-SO2-中选择；环结构B可选择地含有一个氮原子；R2是H、（1-4C）烷基（可选择地取代一个或多个氟原子）、（1-4C）氧烷基（可选择地取代一个或多个氟原子）或卤素；R3是（1-4C）烷基烯基-R6，其中烷基烯基可被（CH2）2取代以形成环丙基基团或取代一个或多个卤素原子，或R3是（3-6C）环烷基烯基-R5或-CO-CH2-R6，其中R6是-OH、-PO3H2、-OPO3H2、-COOH、-COO（1-4C）烷基或四唑-5-基；R4是H或（1-4C）烷基；R5是从H、（1-4C）烷基或氧代基中独立选择的一个或多个取代基；W是-O-、-S-、-SO-或-SO2-；或其药学上可接受的盐、溶剂或水合物，但公式（I）的衍生物不是2-[4-(4-氯苯氧基)-2-氯苯基]-4-吗啡啉乙醇。本发明的化合物具有对S1P受体的亲和力，可用于治疗、缓解或预防S1P受体介导的疾病和症状。
• [EN] METHOD OF TREATING STROKE<br/>[FR] PROCEDE RELATIF AU TRAITEMENT DE L'ACCIDENT VASCULAIRE CEREBRAL
  申请人：LILLY CO ELI

  公开号：WO2002032389A1

  公开（公告）日：2002-04-25

  The present invention provides a method of treating stroke in a patient comprising administering to said patient an effective amount of a compound of the formula: or a pharmaceutically acceptable salt thereof

  本发明提供了一种治疗中风患者的方法，包括向该患者施用以下化合物的有效量：或其药学上可接受的盐。
• (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS
  申请人：Iwema Bakker Wouter I.

  公开号：US20120220552A1

  公开（公告）日：2012-08-30

  The present disclosure relates to (thio)morpholine derivatives of the formula (I) wherein R1 is selected from cyano, (2-4C)alkynyl, (1-4C)alkyl, (3-6C)cycloalkyl, (4-6C)cycloalkenyl, (6-8C)bicycloalkyl, (8-10C)bicyclic group, each optionally substituted with (1-4C)alkyl, phenyl, biphenyl, naphthyl, each optionally substituted with one or more substituents independently selected from halogen, (1-4C)alkyl optionally substituted with one or more fluoro atoms, (2-4C)alkynyl, (1-4C)alkoxy optionally substituted with one or more fluoro atoms, amino, di(1-4C)alkylamino, —SO 2 -(1-4C)alkyl, —CO-(1-4C)alkyl, —CO—O-(1-4C)alkyl, —NH—CO-(1-4C)alkyl and (3-6C)cycloalkyl, phenyl substituted with phenoxy, benzyl, benzyloxy, phenylethyl or monocyclic heterocycle, each optionally substituted with (1-4C)alkyl, monocyclic heterocycle optionally substituted with halogen, (1-4C)alkyl or with phenyl optionally substituted with (1-4C)alkyl, and bicyclic heterocycle optionally substituted with (1-4C)alkyl; A is selected from —CO—O—, —O—CO—, —NH—CO—, —CO—NH, —C═C—, —CCH 3 —O— and the linking group —Y—(CH 2 ) n —X— wherein Y is attached to R1 and selected from a bond, —O—, —S—, —SO—, —SO 2 —, —CH 2 —O—, —CO—, —O—CO—, —CO—O—, —CO—NH—, —NH—CO—, —C═C— and —C≡C—; n is an integer from 1 to 10; and X is attached to the phenylene/pyridyl group and selected from a bond, —O—, —S—, —SO—, —SO 2 —, —NH, —CO—, —C═C— and —C≡C—; ring structure B optionally contains one nitrogen atom; R2 is H, (1-4C)alkyl optionally substituted with one or more fluoro atoms, (1-4C)alkoxy optionally substituted with one or more fluoro atoms, or halogen; and R3 is (1-4C)alkylene-R5 wherein the alkylene group may be substituted with (CH 2 ) 2 to form a cyclopropyl moiety or one or two halogen atoms, or R3 is (3-6C)cycloalkylene-R5 or —CO—CH 2 —R5, wherein R5 is —OH, —PO 3 H 2 , —OPO 3 H 2 , —COOH, —COO(1-4C)alkyl or tetrazol-5-yl; R4 is H or (1-4C)alkyl; R6 is one or more substituents independently selected from H, (1-4C)alkyl or oxo; W is —O—, —S—, —SO— or —SO 2 —; or a pharmaceutically acceptable salt, a solvate or hydrate thereof; with the proviso that the derivative of formula (I) is not 2-(4-ethylphenyl)-4-morpholinoethanol or 4-[4-(2-hydroxyethyl)-2-morpholinyl]benzeneacetonitrile or a pharmaceutically acceptable salt, a solvate or hydrate thereof. The compounds of the disclosure have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of S1P receptor mediated diseases and conditions.

  本公开涉及以下式子的(硫)吗啡啶衍生物(I)： 其中，R1从氰基，(2-4C)炔基，(1-4C)烷基，(3-6C)环烷基，(4-6C)环烯基，(6-8C)双环烷基，(8-10C)双环基中选择，每个基都可以选择性地被(1-4C)烷基，苯基，联苯基，萘基取代，每个基也可以选择性地被一个或多个取代基独立地选择，所述取代基包括卤素，(1-4C)烷基可选择地被一个或多个氟原子取代，(2-4C)炔基，(1-4C)烷氧基可选择性地被一个或多个氟原子取代，氨基，二(1-4C)烷基氨基，—SO2-(1-4C)烷基，—CO-(1-4C)烷基，—CO—O-(1-4C)烷基，—NH—CO-(1-4C)烷基和(3-6C)环烷基，苯基取代为苯氧基，苄基，苄氧基，苯乙基或单环杂环，每个基都可以选择性地被(1-4C)烷基取代，单环杂环可选择性地被卤素，(1-4C)烷基或苯基取代，或双环杂环可选择性地被(1-4C)烷基取代； A从—CO—O—，—O—CO—，—NH—CO—，—CO—NH，—C═C—，—CCH3—O—和连接基—Y—(CH2)n—X—中选择，其中Y连接到R1并从键，—O—，—S—，—SO—，—SO2—，—CH2—O—，—CO—，—O—CO—，—CO—O—，—CO—NH—，—NH—CO—，—C═C—和—C≡C—中选择；n是1到10的整数；X连接到苯基/吡啶基并从键，—O—，—S—，—SO—，—SO2—，—NH，—CO—，—C═C—和—C≡C—中选择；环结构B可选择性地包含一个氮原子； R2为H，(1-4C)烷基可选择性地被一个或多个氟原子取代，(1-4C)烷氧基可选择性地被一个或多个氟原子取代，或卤素； R3为(1-4C)烷基-R5，其中烷基可以被(CH2)2取代以形成环丙基基团或一或两个卤素原子，或R3为(3-6C)环烷基-R5或—CO—CH2—R5，其中R5为—OH，—PO3H2，—OPO3H2，—COOH，—COO(1-4C)烷基或四唑-5-基； R4为H或(1-4C)烷基； R6为一个或多个取代基，独立地选择自H，(1-4C)烷基或氧代基； W为—O—，—S—，—SO—或—SO2—； 或其药学上可接受的盐、溶剂或水合物； 但是，公开的衍生物式(I)不包括2-(4-乙基苯基)-4-吗啡啶基乙醇或4-[4-(2-羟乙基)-2-吗啡啶基]苯乙腈或其药学上可接受的盐、溶剂或水合物。 本公开的化合物具有对S1P受体的亲和力，并可用于治疗、缓解或预防S1P受体介导的疾病和症状。
• (Thio)morpholine derivatives as S1P modulators
  申请人：Iwema Bakker Wouter I.

  公开号：US09045441B2

  公开（公告）日：2015-06-02

  The present disclosure relates to (thio)morpholine derivatives of the formula (I) or a pharmaceutically acceptable salt, a solvate or hydrate thereof; with the proviso that the derivative of formula (I) is not 2-(4-ethylphenyl)-4-morpholinoethanol or 4-[4-(2-hydroxyethyl)-2-morpholinyl]benzeneacetonitrile or a pharmaceutically acceptable salt, a solvate or hydrate thereof. The compounds of the disclosure have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of S1P receptor mediated diseases and conditions.

  本公开涉及公式（I）的（硫）吗啡啶衍生物，或其药学上可接受的盐、溶剂合物或水合物；前提是公式（I）的衍生物不是2-（4-乙基苯基）-4-吗啡啶乙醇或4- [4-（2-羟乙基）-2-吗啡啶基]苯乙腈或其药学上可接受的盐、溶剂合物或水合物。本公开的化合物具有对S1P受体的亲和力，并可用于治疗、缓解或预防S1P受体介导的疾病和病症。