(5-bromo-indan-1-yl)-methylamine | 1188232-80-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (5-bromo-indan-1-yl)-methylamine
• 英文别名: (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine
• CAS: 1188232-80-5
• 化学式: C₁₀H₁₂BrN
• 分子量: 226.116
• InChiKey: VWQZJOMQTCXOCG-UHFFFAOYSA-N

物化性质

• 沸点：
  299.6±33.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (5-bromo-indan-1-yl)-methylamine 在 二乙基异丙基胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 22.5h， 生成 N-[[5-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxyphenyl]-3H-inden-1-yl]methyl]-N-methylmethanesulfonamide
  参考文献：
  名称：

  Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: Synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif

  摘要：

  The synthesis and structure-activity relationships of a novel aryl uracil series which contains a fused 5,6-bicyclic ring unit for HCV NS5B inhibition is described. Several analogs display replicon cell culture potencies in the low nanomolar range along with excellent rat pharmacokinetic values. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.04.057
• 作为产物：
  描述：

  1-(azidomethyl)-5-bromo-2,3-dihydro-1H-indene 在 三苯基膦 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (5-bromo-indan-1-yl)-methylamine
  参考文献：
  名称：

  通过钯催化、Nosylamide 导向的 CH 烯烃化反应对 β-烷基苯乙胺衍生物进行动力学拆分。

  摘要：

  钯催化的CH活化反应以其独特的高选择性、宽泛的官能团耐受性和高效性等特点引起了有机研究人员的关注，广泛应用于天然产物和不对称合成。在这里，我们报告了一个以 Boc-L-lle-OH 为配体、nosylamide 为导向基团的 β-烷基苯乙胺化合物和苯乙烯之间的对映选择性 CH 烯基化的例子。该反应适用于含有各种缺电子和供电子取代基的苯乙烯，可用于合成苯并氮杂化合物。

  DOI：

  10.3390/molecules28041852

文献信息

• [EN] AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR<br/>[FR] COMPOSES AROMATIQUES BICYCLIQUES AMINOMETHYLE SUBSTITUES PERMETTANT DE TRAITER DES TROUBLES REPONDANT A UNE MODULATION DU RECEPTEUR D3 DE LA DOPAMINE
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2006040180A1

  公开（公告）日：2006-04-20

  The present invention relates to an aminomethyl substituted bicyclic aromatic compound of the formula (I) wherein Ar is a cyclic radical selected from the group consisting of phenyl, a 5- or 6-membered C-bound heteroaromatic radical comprising as ring member 1, 2 or 3 heteroatoms which are, independently of each other, selected from O, S and N, and a phenyl ring fused to a saturated or unsaturated 5- or 6-membered carbocyclic or heterocyclic ring, where the heterocyclic ring comprises as ring members 1, 2 or 3 heteroatoms selected from N, O and S and/or 1, 2 or 3 heteroatom-containing groups each independently selected from NR8, where R8 is H, C1-C4-alkyl, fluorinated C1-C4-alkyl, C1-C4-alkylcarbonyl or fluorinated C1-C4-alkylcarbonyl, and where the cyclic radical Ar may carry 1, 2 or 3 substituents Ra, wherein the variable Ra has the meanings given in the claims and in the description; X is a covalent bond or N-R2, CHR2, CHR2CH2, N or C-R2; Y is N-R2a, CHR2a, CHR2aCH2 or CHR2aCH2CH2; is a single bond or a double bond; E is CH2 or NR3; R1 is H, C1-C4-alkyl, C3-C4-cycloalkyl, C3-C4-cycloalkylmethyl, C3-C4-alkenyl, fluorinated C1­-C4-alkyl, fluorinated C3-C4-cycloalkyl, fluorinated C3-C4-cycloalkylmethyl, fluorinated C3­-C4-alkenyl, formyl or C1-C3-alkylcarbonyl; R1a is H, C1-C4-alkyl, C3-C4-cycloalkyl, C3-C4-alkenyl, fluorinated C1-C4-alkyl, fluorinated C3­-C4-cycloalkyl, fluorinated C3-C4-alkenyl, R2 and R2a each independently are H, CH3, CH2F, CHF2 or CF3 or R1a and R2 or R1a and R2a together are (CH2)n with n being 1, 2 or 3; R3 is H or C1-C4-alkyl; R4 and R5 independently of each other are H, C1-C4-alkyl, fluorinated C1-C4-alkyl or C1-C4­-alkoxy or may form, together with N, a 4-, 5- or 6-membered saturated or unsaturated ring; R6 and R7 independently of each other are H or halogen; and the physiologically tolerated acid addition salts thereof. The invention also relates to the use of a compound of the formula (I) or a pharmaceutically acceptable salt thereof for preparing a pharmaceutical composition for the treatment of a medical disorder susceptible to treatment with a dopamine D3 receptor ligand.

  本发明涉及一种氨甲基取代的双环芳香化合物，其化学式为(I)，其中Ar是从苯基、一个含有1、2或3个杂原子的5-或6成员C-键合杂芳基组成的环状基团中选择的循环基团，这些杂原子独立地选择自O、S和N，以及与饱和或不饱和的5-或6成员碳环或杂环融合的苯环，其中杂环包括作为环成员的1、2或3个选自N、O和S的杂原子和/或每个独立选择自NR8的1、2或3个含杂原子的基团，其中R8为H、C1-C4-烷基、氟代C1-C4-烷基、C1-C4-烷基酰基或氟代C1-C4-烷基酰基，环状基团Ar可能携带1、2或3个取代基Ra，其中变量Ra具有权利要求和描述中给定的含义；X是共价键或N-R2、CHR2、CHR2CH2、N或C-R2；Y是N-R2a、CHR2a、CHR2aCH2或CHR2aCH2CH2；是单键或双键；E是CH2或NR3；R1是H、C1-C4-烷基、C3-C4-环烷基、C3-C4-环烷基甲基、C3-C4-烯基、氟代C1-C4-烷基、氟代C3-C4-环烷基、氟代C3-C4-环烷基甲基、氟代C3-C4-烯基、甲酰基或C1-C3-烷基酰基；R1a是H、C1-C4-烷基、C3-C4-环烷基、C3-C4-烯基、氟代C1-C4-烷基、氟代C3-C4-环烷基、氟代C3-C4-烯基，R2和R2a各自独立地为H、CH3、CH2F、CHF2或CF3，或者R1a和R2或R1a和R2a一起为(CH2)n，其中n为1、2或3；R3为H或C1-C4-烷基；R4和R5独立地为H、C1-C4-烷基、氟代C1-C4-烷基或C1-C4-烷氧基，或者与N一起形成4、5或6成员饱和或不饱和环；R6和R7独立地为H或卤素；以及其生理耐受的酸盐加合物。该发明还涉及使用化合物(I)或其药学上可接受的盐制备用于治疗对多巴胺D3受体配体治疗敏感的医疗紊乱的药物组合物。
• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS DE L'HISTONE DÉMÉTHYLASE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2015200709A1

  公开（公告）日：2015-12-30

  The present disclosure relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyridine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本公开涉及治疗癌症和肿瘤疾病的组合物和方法。本文提供了替代吡啶衍生物化合物和包含该化合物的制药组合物。该化合物和组合物对于抑制组蛋白去甲基化酶具有用途。此外，该化合物和组合物对于治疗癌症，例如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等具有用途。
• HISTONE DEMETHYLASE INHIBITORS
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US20160332970A1

  公开（公告）日：2016-11-17

  The present disclosure relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyridine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本公开涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了取代吡啶衍生物化合物和包含该化合物的制药组合物。该化合物和组合物对于抑制组蛋白去甲基化酶具有用处。此外，该化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等具有用处。
• Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor
  申请人：Drescher Karla

  公开号：US20110144146A1

  公开（公告）日：2011-06-16

  The present invention relates to an aminomethyl substituted bicyclic aromatic compound of the formula I wherein Ar is a cyclic radical selected from the group consisting of phenyl, a 5- or 6-membered C-bound heteroaromatic radical comprising as ring member 1, 2 or 3 heteroatoms which are, independently of each other, selected from O, S and N, and a phenyl ring fused to a saturated or unsaturated 5- or 6-membered carbocyclic or heterocyclic ring, where the heterocyclic ring comprises as ring members 1, 2 or 3 heteroatoms selected from N, 0 and S and/or 1, 2 or 3 heteroatom-containing groups each independently selected from NR 8 , where R 8 is H, C 1 -C 4 -alkyl, fluorinated C 1 -C 4 -alkyl, C 1 -C 4 -alkylcarbonyl or fluorinated C 1 -C 4 -alkylcarbonyl, and where the cyclic radical Ar may carry 1, 2 or 3 substituents R a , wherein the variable R a has the meanings given in the claims and in the description; X is a covalent bond or N—R 2 , CHR 2 , CHR 2 CH 2 , N or C—R 2 ; Y is N—R 2a , CHR 2a , CHR 2a CH 2 or CHR 2a CH 2 CH 2 ; is a single bond or a double bond; E is CH 2 or NR 3 ; R 1 is H, C 3 -C 4 -cycloalkyl, C 3 -C 4 -cycloalkylmethyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, fluorinated C 3 -C 4 -cycloalkylmethyl, fluorinated C 3 -C 4 -alkenyl, formyl or C 1 -C 3 -alkylcarbonyl; R 1a is H, C 1 C 4 -alkyl, C 3 -C 4 -cycloalkyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, fluorinated C 3 -C 4 -alkenyl, R 2 and R 2a each independently are H, CH 3 , CH 2 F, CHF 2 or CF 3 or R 1a and R 2 or R 1a and R 2a together are (CH 2 ) n with n being 1, 2 or 3; R 3 is H or C 1 C 4 -alkyl; R 4 and R 5 independently of each other are H, C 1 -C 4 -alkyl, fluorinated C 1 -C 4 -alkyl or C 1 -C 4 -alkoxy or may form, together with N, a 4-, 5- or 6-membered saturated or unsaturated ring; R 6 and R 7 independently of each other are H or halogen; and the physiologically tolerated acid addition salts thereof.

  本发明涉及一种式子I的氨甲基取代的双环芳香化合物，其中Ar是从苯基、包含1、2或3个杂原子的5-或6元素C-键杂环基团（杂原子独立地选自O、S和N），以及与饱和或不饱和的5-或6元素碳环或杂环环融合的苯环，其中杂环环成员选自N、O和S和/或1、2或3个杂原子含量的基团，每个基团独立地选自NR8，其中R8是H、C1-C4-烷基、氟代C1-C4-烷基、C1-C4-烷基羰基或氟代C1-C4-烷基羰基，环状基团Ar可以携带1、2或3个取代基Ra，其中变量Ra的含义在权利要求和说明书中给出；X是共价键或N-R2、CHR2、CHR2CH2、N或C-R2；Y是N-R2a、CHR2a、CHR2aCH2或CHR2aCH2CH2；是单键或双键；E是CH2或NR3；R1是H、C3-C4-环烷基、C3-C4-环烷基甲基、C3-C4-烯基、氟代C1-C4-烷基、氟代C3-C4-环烷基、氟代C3-C4-环烷基甲基、氟代C3-C4-烯基、甲酰基或C1-C3-烷基羰基；R1a是H、C1-C4-烷基、C3-C4-环烷基、C3-C4-烯基、氟代C1-C4-烷基、氟代C3-C4-环烷基、氟代C3-C4-烯基，R2和R2a各自独立地为H、CH3、CH2F、CHF2或CF3，或者R1a和R2或R1a和R2a一起为(CH2)n，其中n为1、2或3；R3是H或C1-C4-烷基；R4和R5独立地为H、C1-C4-烷基、氟代C1-C4-烷基或C1-C4-烷氧基，或者可以与N一起形成4、5或6元素的饱和或不饱和环；R6和R7独立地为H或卤素；以及其生理耐受的酸加成盐。
• Histone demethylase inhibitors
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US10106534B2

  公开（公告）日：2018-10-23

  The present disclosure relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyridine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本公开总体上涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了取代的吡啶衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物还可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。