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2-(3-Dimethylamino-phenoxy)-nicotinic acid | 214758-30-2

中文名称
——
中文别名
——
英文名称
2-(3-Dimethylamino-phenoxy)-nicotinic acid
英文别名
2-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
2-(3-Dimethylamino-phenoxy)-nicotinic acid化学式
CAS
214758-30-2
化学式
C14H14N2O3
mdl
——
分子量
258.277
InChiKey
NICCWLYCVSNXKT-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):
    2.4
  • 重原子数:
    19
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.14
  • 拓扑面积:
    62.7
  • 氢给体数:
    1
  • 氢受体数:
    5

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

  • 作为反应物:
    描述:
    2-(3-Dimethylamino-phenoxy)-nicotinic acid 、 (R)-2-amino-3-(benzyloxy)-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下, 以 乙腈 为溶剂, 反应 6.0h, 生成 2-{[3-(dimethylamino)phenyl]oxy}-N-[(1R)-2-(4-methylpiperazin-1-yl)-2-oxo-1-{[(phenylmethyl)oxy]methyl}ethyl]pyridine-3-carboxamide
    参考文献:
    名称:
    Discovery of a new class of glucosylceramide synthase inhibitors
    摘要:
    A novel series of potent inhibitors of glucosylceramide synthase are described. The optimization of biochemical and cellular potency as well as ADME properties led to compound 23c. Broad tissue distribution was obtained following oral administration to mice. Thus 23c could be another useful tool compound for studying the effects of GCS inhibition in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2011.09.037
  • 作为产物:
    描述:
    3-羟基-N,N-二甲基苯胺caesium carbonate 、 lithium hydroxide 作用下, 以 四氢呋喃N,N-二甲基乙酰胺 为溶剂, 反应 52.0h, 生成 2-(3-Dimethylamino-phenoxy)-nicotinic acid
    参考文献:
    名称:
    Discovery of a new class of glucosylceramide synthase inhibitors
    摘要:
    A novel series of potent inhibitors of glucosylceramide synthase are described. The optimization of biochemical and cellular potency as well as ADME properties led to compound 23c. Broad tissue distribution was obtained following oral administration to mice. Thus 23c could be another useful tool compound for studying the effects of GCS inhibition in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2011.09.037
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文献信息

  • Nicotinamide derivatives
    申请人:Pfizer Inc
    公开号:US06380218B1
    公开(公告)日:2002-04-30
    A compound of formula (I) wherein m, n, o, p, q, r, A, B, D, E, R1, R2,R3, R4, R5, R6, R7 and R8 are as defined in the description, useful in the treatment of respiratory, allergic, rheumatoid, body weight regulation, inflammatory and central nervous system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory diseases syndrome, shock, fibrosis, pulmonary hypersensitivity, allergic rhinitis, atopic dermatitis, psoriasis, weight control, rheumatoid arthritis, cachexia, crohn's disease, ulcerative colitis, arthritic conditions and other inflammatory diseases, depression, multi-infarct dementia and AIDS.
    化合物式(I)中,m、n、o、p、q、r、A、B、D、E、R1、R2、R3、R4、R5、R6、R7和R8如描述中所定义,可用于治疗呼吸系统、过敏、风湿性、体重调节、炎症和中枢神经系统疾病,如哮喘、慢性阻塞性肺病、成人呼吸系统疾病综合征、休克、纤维化、肺过敏、过敏性鼻炎、特应性皮炎、银屑病、体重控制、类风湿性关节炎、消瘦症、克罗恩病、溃疡性结肠炎、关节炎和其他炎症性疾病、抑郁症、多发性梗塞性痴呆和艾滋病。
  • NICOTINAMIDE DERIVATIVES
    申请人:Pfizer Products Inc.
    公开号:EP0971894A1
    公开(公告)日:2000-01-19
  • US6380218B1
    申请人:——
    公开号:US6380218B1
    公开(公告)日:2002-04-30
  • [EN] NICOTINAMIDE DERIVATIVES<br/>[FR] DERIVES DE NICOTINAMIDE
    申请人:PFIZER PRODUCTS INC.
    公开号:WO1998045268A1
    公开(公告)日:1998-10-15
    (EN) A compound of formula (I) wherein m, n, o, p, q, r, A, B, D, E, R1, R2,R3, R4, R5, R6, R7 and R8 are as defined in the description, useful in the treatment of respiratory, allergic, rheumatoid, body weight regulation, inflammatory and central nervous system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory diseases syndrome, shock, fibrosis, pulmonary hypersensitivity, allergic rhinitis, atopic dermatitis, psoriasis, weight control, rheumatoid arthritis, cachexia, crohn's disease, ulcerative colitis, arthritic conditions and other inflammatory diseases, depression, multi-infarct dementia and AIDS.(FR) La présente invention concerne un composé représenté par la formule (I) dans laquelle m, n, o, p, q, r, A, B, D, E, R1, R2, R3, R4, R5, R6, R7 et R8, définis dans la description, sont utilisés dans le traitement d'affections respiratoires, allergiques, rhumatoïdes de la maîtrise du poids, et des désordres du système nerveux central, comme l'asthme, les maladies respiratoires obstructives chroniques, le syndrome de détresses respiratoire de l'adulte, les états de choc, les fibroses, l'hypersensibilité pulmonaire, la rhinite allergique, les dermites atopiques, le psoriasis, la maîtrise du poids, la polyarthrite rhumatoïde, la cachexie, la maladie de Crohn, la recto-colite hémorragique, les états arthritiques et autres maladies inflammatoires, la dépression, la démence athéroscléreuse et le sida.
  • [EN] GLUCOSYLCERAMIDE SYNTHASE INHIBITORS<br/>[FR] INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE
    申请人:EXELIXIS INC
    公开号:WO2010091104A1
    公开(公告)日:2010-08-12
    The present invention comprises glucosylceramide synthase (GCS) inhibitors of structural formula (I), and pharmaceutically acceptable salts thereof, wherein R1, E, A, L, X1, Q, R4, R5, m and n, are as defined herein, as well as N-oxides of them and pharmaceutically acceptable salts thereof. The invention further comprises composition comprising the compounds, N-oxides, and/or pharmaceutically acceptable salts thereof. The invention also comprises use of the compounds and compositions for treating diseases in which GCS is a mediator or is implicated. The invention also comprises use of the compounds in and for the manufacture of medicaments, particularly for treating diseases in which GCS is a mediator or is implicated.
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