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N-(3,5-bis-trifluoromethyl-benzyl)-6-(4-cyanomethyl-piperazin-1-yl)-N-methyl-4-o-tolyl-nicotinamide

中文名称
——
中文别名
——
英文名称
N-(3,5-bis-trifluoromethyl-benzyl)-6-(4-cyanomethyl-piperazin-1-yl)-N-methyl-4-o-tolyl-nicotinamide
英文别名
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(cyanomethyl)piperazin-1-yl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
N-(3,5-bis-trifluoromethyl-benzyl)-6-(4-cyanomethyl-piperazin-1-yl)-N-methyl-4-o-tolyl-nicotinamide化学式
CAS
——
化学式
C29H27F6N5O
mdl
——
分子量
575.557
InChiKey
BXXGEOWRMSJJAJ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.6
  • 重原子数:
    41
  • 可旋转键数:
    6
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.34
  • 拓扑面积:
    63.5
  • 氢给体数:
    0
  • 氢受体数:
    11

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Use of NK-1 receptor antagonists against benign prostatic hyperplasia
    申请人:——
    公开号:US20030004157A1
    公开(公告)日:2003-01-02
    The invention relates to the use of an NK-1 receptor antagonist for the treatment or prevention of benign prostatic hyperplasia (BPH). The preferred NK-1 receptor antagonists are compounds of the general formula 1 wherein the meanings of R, R 1 , R 2 , R 2′ , R 3 , R 4 are explained in the specification and the pharmaceutically acceptable acid addition salts and the prodrugs thereof Preferred compounds are 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide, 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-[6-(4-methyl-piperazin-1-yl)-4-o-tolyl-pyridin-3-yl]-isobutyramide, 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1&lgr; 6 -thiomorpholin-4-yl)-4-o-tolyl-pyridin-3-yl]-N-methyl-isobutyramide and 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1&lgr; 6 -thiomorpholin-4-yl)-4-(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide. The invention also relates to pharmaceutical composition comprising one or more such NK-1 receptor antagonists and a pharmaceutically acceptable excipient for the treatment and/or prevention of benign prostatic hyperplasia.
    本发明涉及使用NK-1受体拮抗剂治疗或预防良性前列腺增生(BPH)。首选的NK-1受体拮抗剂是一般式1中R,R1,R2,R2',R3,R4的含义在规范中解释的化合物,以及其药学上可接受的酸盐和前药。首选化合物是2-(3,5-双三氟甲基苯基)-N-甲基-N-(6-吗啉-4-基-4-o-甲苯基-吡啶-3-基)-异丁酰胺,2-(3,5-双三氟甲基苯基)-N-甲基-N-[6-(4-甲基哌嗪-1-基)-4-o-甲苯基-吡啶-3-基]-异丁酰胺,2-(3,5-双三氟甲基苯基)-N-[6-(1,1-二氧-1&lgr;6-硫代吗啉-4-基)-4-o-甲苯基-吡啶-3-基]-N-甲基异丁酰胺和2-(3,5-双三氟甲基苯基)-N-[6-(1,1-二氧-1&lgr;6-硫代吗啉-4-基)-4-(4-氟-2-甲基苯基)-吡啶-3-基]-N-甲基异丁酰胺。本发明还涉及包含一种或多种此类NK-1受体拮抗剂和药学上可接受的载体的制药组合物,用于治疗和/或预防良性前列腺增生。
  • Method of treatment and/or prevention of brain, spinal or nerve injury
    申请人:——
    公开号:US20030083345A1
    公开(公告)日:2003-05-01
    The invention relates to a method of treatment and/or prevention of brain, spinal or nerve injury comprising administration to a person in need of such treatment, of a therapeutically effective amount of an NK-1 receptor antagonist compound of the formula 1 wherein the meanings of R, R 1 , R 2 , R 2′ , R 3 , R 4 are explained in the specification and the pharmaceutically acceptable acid addition salts and the prodrugs thereof either alone or in combination with a magnesium salt. Exemplified is the use of N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide. The invention also relates to pharmaceutical composition comprising one or more such NK-1 receptor antagonists, optionally in combination with a magnesium salt, and a pharmaceutically acceptable excipient for the treatment and/or prevention of brain, spinal or nerve injury.
    本发明涉及一种治疗和/或预防脑、脊髓或神经损伤的方法,包括向需要此类治疗的人口中给予公式1的NK-1受体拮抗剂化合物的治疗有效量,其中R、R1、R2、R2′、R3、R4的含义在说明书中解释,其药学可接受的酸盐和其前药,可以单独使用或与镁盐组合使用。例如使用N-(3,5-双三氟甲基苯基)-N-甲基-6-(4-甲基哌嗪-1-基)-4-邻甲苯基烟酰胺。本发明还涉及一种制药组合物,包括一种或多种这样的NK-1受体拮抗剂,可选地与镁盐组合使用,以及药学可接受的载体,用于治疗和/或预防脑、脊髓或神经损伤。
  • 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists
    申请人:F. HOFFMANN-LA ROCHE AG
    公开号:EP1035115A1
    公开(公告)日:2000-09-13
    The present invention relates to compounds of the general formula wherein Ris hydrogen, lower alkyl, lower alkoxy, halogen or trifluoromethyl; R1is hydrogen or halogen; or R and R1may be together -CH=CH-CH=CH-; R2 and R2'are independently from each other hydrogen, halogen, trifluoromethyl, lower alkoxy or cyano; or R2 and R2'may be together -CH=CH-CH=CH-, optionally substituted by one or two substituents selected from lower alkyl or lower alkoxy; R3is hydrogen, lower alkyl or form a cycloalkyl group; R4is hydrogen, -N(R5)2, -N(R5)(CH2)nOH, -N(R5)S(O)2-lower alkyl, -N(R5)S(O)2-phenyl, -N=CH-N(R5)2, -N(R5)C(O)R5 or a cyclic tertiary amine of the group R5is, independently from each other, hydrogen, C3-6-cycloalkyl, benzyl or lower alkyl; R6is hydrogen, hydroxy, lower alkyl, -(CH2)nCOO-lower alkyl, -N(R5)CO-lower alkyl, hydroxy-lower alkyl, cyano, -(CH2)nO(CH2)nOH, -CHO or a 5-or 6 membered heterocyclic group, optionally bonded via an alkylene group, Xis -C(O)N(R5)-, -(CH2)mO-, -(CH2)mN(R5)-, -N(R5)C(O)-, or -N(R5)(CH2)m-; nis 0-4; and mis 1 or 2; and to pharmaceutically acceptable acid addition salts thereof. The compounds of formula I show a high affinity to the NK- 1 receptor. They may be used for the treatment of diseases, which relate to NK- 1 receptor antagonists.
    本发明涉及通式如下的化合物 式中 Ris氢、低级烷基、低级烷氧基、卤素或三氟甲基; R1 是氢或卤素;或 R和R1可以是-CH=CH-CH=CH-; R2 和 R2'彼此独立地为氢、卤素、三氟甲基、低级烷氧基或氰基;或 R2 和 R2'可以同时为-CH=CH-CH=CH-,任选被一个或两个选自低级烷基或低级烷氧基的取代基取代; R3 是氢、低级烷基或形成环烷基; R4 是氢、-N(R5)2、-N(R5)(CH2)nOH、-N(R5)S(O)2-低级烷基、-N(R5)S(O)2-苯基、-N=CH-N(R5)2、-N(R5)C(O)R5 或以下基团的环状叔胺 R5 相互独立地为氢、C3-6-环烷基、苄基或低级烷基; R6 是氢、羟基、低级烷基、-(CH2)nCOO-低级烷基、-N(R5)CO-低级烷基、羟基-低级烷基、氰基、-(CH2)nO(CH2)nOH、-CHO 或可选择通过亚烷基键合的 5 或 6 位杂环基团、 X是-C(O)N(R5)-、-(CH2)mO-、-(CH2)mN(R5)-、-N(R5)C(O)-或-N(R5)(CH2)m-; n 为 0-4;以及 误差为 1 或 2; 及其药学上可接受的酸加成盐。式 I 的化合物对 NK- 1 受体具有很高的亲和力。它们可用于治疗与 NK- 1 受体拮抗剂有关的疾病。
  • The use of pyridinic NK-1 receptor antagonists for the treatment of brain, spinal or nerve injury
    申请人:F.HOFFMANN-LA ROCHE AG
    公开号:EP1621195A2
    公开(公告)日:2006-02-01
    The invention relates to the use of an NK-1 receptor antagonist, optionally in combination with a magnesium salt, for the treatment and/or prevention of brain, spinal or nerve injury, wherein said NK-1 receptor antagonist is a compound of the general formula wherein the meanings of R, R1, R2, R2', R3, R4 are explained in the specification and the pharmaceutically acceptable acid addition salts and the prodrugs thereof either alone or in combination with a magnesium salt. Exemplified is the use of N-(3,5-bis-trifluoromethylbenzyl)-N-methyl-6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide. The invention also relates to pharmaceutical composition comprising one or more such NK-1 receptor antagonists, optionally in combination with a magnesium salt, and a pharmaceutically acceptable excipient for the treatment and/or prevention of brain, spinal or nerve injury.
    本发明涉及一种 NK-1 受体拮抗剂(可选择与镁盐结合使用)用于治疗和/或预防脑、脊柱或神经损伤,其中所述 NK-1 受体拮抗剂为通式化合物 其中 R、R1、R2、R2'、R3、R4 的含义在说明书中解释,其药学上可接受的酸加成盐和原药可单独使用或与镁盐结合使用。例如,N-(3,5-双三氟甲基苄基)-N-甲基-6-(4-甲基-哌嗪-1-基)-4-邻甲苯基烟酰胺的用途。本发明还涉及药物组合物,该组合物包含一种或多种此类 NK-1 受体拮抗剂(可选择与镁盐结合使用)和药学上可接受的赋形剂,用于治疗和/或预防脑、脊柱或神经损伤。
  • Brain, spinal, and nerve injury treatment
    申请人:EUSTRALIS PHARMACEUTICALS LIMITED
    公开号:US10201568B2
    公开(公告)日:2019-02-12
    A treatment for brain, spinal and nerve injury comprising use of a substance P receptor antagonist optionally in combination with a magnesium compound. There is also provided a formulation for use in this treatment comprising a substance P receptor antagonist and a magnesium compound.
    一种治疗脑、脊柱和神经损伤的方法,包括使用一种 P 物质受体拮抗剂(可选择与一种镁化合物结合使用)。还提供了一种用于这种治疗的制剂,包括一种 P 物质受体拮抗剂和一种镁化合物。
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