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3-(羟基甲基)-苯甲酰胺 | 126926-34-9

中文名称
3-(羟基甲基)-苯甲酰胺
中文别名
3-(羟甲基)苯甲酰胺
英文名称
-(3-(Hydroxymethyl)phenyl)formamide
英文别名
3-(Hydroxymethyl)benzamide
3-(羟基甲基)-苯甲酰胺化学式
CAS
126926-34-9
化学式
C8H9NO2
mdl
MFCD12137892
分子量
151.165
InChiKey
ZUBCCQNBZLMGQS-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

物化性质

  • 熔点:
    106 - 108°C
  • 沸点:
    338.8±25.0 °C(Predicted)
  • 密度:
    1.239±0.06 g/cm3(Predicted)
  • 溶解度:
    可溶于DMSO(少许)、甲醇(少许)

计算性质

  • 辛醇/水分配系数(LogP):
    -0.1
  • 重原子数:
    11
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.125
  • 拓扑面积:
    63.3
  • 氢给体数:
    2
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2924299090
  • 危险性防范说明:
    P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
  • 危险性描述:
    H302,H315,H319,H335

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Lead optimisation of the N1 substituent of a novel series of indazole arylsulfonamides as CCR4 antagonists and identification of a candidate for clinical investigation
    摘要:
    Synthesis and preliminary SAR of the N1 substituent of a novel series of indazole sulfonamide chemokine receptor 4 (CCR4) antagonist is reported. Compound 7r was identified for further development. (C) 2012 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2012.02.104
  • 作为产物:
    描述:
    4-氰基苯甲醛 在 sodium tetrahydroborate 作用下, 以 乙醇 为溶剂, 反应 5.0h, 以87%的产率得到3-(羟基甲基)-苯甲酰胺
    参考文献:
    名称:
    无过渡金属硼氢化钠促进腈类可控水合成酰胺
    摘要:
    摘要 在硼氢化钠的推动下,已经开发出一种不含过渡金属的工艺,可方便且选择性地将腈水合为相应的酰胺。本方法转化具有广泛官能团耐受性的芳族、脂族和杂芳族腈。在存在另一个腈基团的情况下,一个腈基部分的区域选择性水合作用对本协议产生了重大影响。[本文提供补充材料。访问出版商的 Synthetic Communications® 在线版,获取以下免费补充资源:完整的实验和光谱细节。] 图形摘要
    DOI:
    10.1080/00397911.2012.745566
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文献信息

  • Anti-Cytokine Heterocyclic Compounds
    申请人:Goldberg Daniel
    公开号:US20060276496A1
    公开(公告)日:2006-12-07
    Heterocyclic compounds and analogues thereof and their use as inhibitors of Mitogen-Activated Protein Kinase-Activated Protein kinase-2 (MAPKAP-k2), and also to a method for preventing or treating a disease or disorder that can be treated or prevented by modulating the activity of MAPKAP-K2 in a subject and to pharmaceutical compositions and kits that include these MAPKAP-K2 inhibitors.
    杂环化合物及其类似物以及它们作为丝裂原活化蛋白激酶-2(MAPKAP-k2)抑制剂的用途,以及用于预防或治疗可以通过调节受试者中MAPKAP-K2活性来治疗或预防的疾病或紊乱的方法,以及包括这些MAPKAP-K2抑制剂的药物组合物和试剂盒。
  • Substituted Pyrrolidine-2-Carboxamides
    申请人:Ding Qingjie
    公开号:US20100075948A1
    公开(公告)日:2010-03-25
    There are provided compounds of the formula wherein X, Y, R 1 , R 2 , R 3 , R 3 , R 4 , R 5 , R 6 and R 7 are as described herein and enantiomers and pharmaceutically acceptable salts and esters thereof. The compounds are useful as anticancer agents.
    提供了以下式的化合物 其中X、Y、R1、R2、R3、R3、R4、R5、R6和R7如本文所述,以及其对映体和药用可接受的盐和酯。这些化合物可用作抗癌药物。
  • [EN] ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS ARYL-PHÉNYL-SULFONAMINO-CYCLOALKYLE ET LEURS UTILISATIONS
    申请人:PIMCO 2664 LTD
    公开号:WO2010032009A1
    公开(公告)日:2010-03-25
    The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-phenyl-sulfonamido-cycloalkyl compounds of the following formula (collectively referred to herein as "APSAC compounds"). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, in treatment, for example, of inflammation and/or joint destruction and/or bone loss; of disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; of inflammatory and autoimmune disorders, for example, rheumatoid arthritis, psoriasis, psoriatic arthritis, chronic obstructive pulmonary disease (COPD), atherosclerosis, inflammatory bowel disease, ankylosing spondylitis, and the like; of disorders associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, Paget's disease and the like, etc.; and of cancer, such as a haematological malignancy, a solid tumour, etc. Formula (I).
    本发明一般涉及治疗化合物领域,更具体地涉及以下化学式的某些芳基-苯基-磺酰胺基-环烷基化合物(以下统称为“APSAC化合物”)。本发明还涉及包含这种化合物的药物组合物,以及这种化合物和组合物的使用,无论是在体外还是体内,用于治疗炎症和/或关节破坏和/或骨质流失等疾病,过度和/或不适当和/或持续激活免疫系统介导的疾病,例如炎症性和自身免疫性疾病,如类风湿关节炎、银屑病、银屑病性关节炎、慢性阻塞性肺病(COPD)、动脉粥样硬化、炎症性肠病、强直性脊柱炎等;与骨质流失相关的疾病,例如类风湿性关节炎中由过度破骨细胞活动引起的骨质流失、骨质疏松症、癌症相关的骨病、帕金森病等等;以及癌症,如血液恶性肿瘤、实体肿瘤等。化学式(I)。
  • SPHINGOSINE KINASE INHIBITORS
    申请人:Smith D. Charles
    公开号:US20060287317A1
    公开(公告)日:2006-12-21
    The invention relates to substituted adamantane compounds, pharmaceutical compositions thereof, processes for their preparation, and methods for inhibiting sphingosine kinase and for treating or preventing hyperproliferative disease, inflammatory disease, or angiogenic disease.
    这项发明涉及替代金刚烷化合物,其药物组成部分,其制备过程,以及抑制神经鞘氨醇激酶、治疗或预防过度增殖性疾病、炎症性疾病或血管生成性疾病的方法。
  • [EN] ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS ARYL-PHÉNYL-SULFONAMINO-PHÉNYLÈNE ET LEURS UTILISATIONS
    申请人:PIMCO 2664 LTD
    公开号:WO2010032010A1
    公开(公告)日:2010-03-25
    The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-phenyl-sulfonamido-phenylene compounds of the following formula (I) (collectively referred to herein as "APSAP compounds"). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, in treatment, for example, of inflammation and/or joint destruction and/or bone loss; of disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; of inflammatory and autoimmune disorders, for example, rheumatoid arthritis, psoriasis, psoriatic arthritis, chronic obstructive pulmonary disease (COPD), atherosclerosis, inflammatory bowel disease, ankylosing spondylitis, and the like; of disorders associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, Paget's disease and the like, etc.; and of cancer, such as a haematological malignancy, a solid tumour, etc.
    本发明通常涉及治疗化合物领域,更具体地涉及以下式(I)的某些芳基苯磺酰胺基苯基化合物(以下统称为“APSAP化合物”)。本发明还涉及包含这些化合物的药物组合物,以及这些化合物和组合物在体内外的使用,例如用于治疗炎症和/或关节破坏和/或骨质流失;过度和/或不适当和/或持续激活免疫系统的疾病;炎症性和自身免疫性疾病,例如类风湿关节炎、牛皮癣、银屑病性关节炎、慢性阻塞性肺病(COPD)、动脉粥样硬化、炎症性肠病、强直性脊柱炎等;与骨质流失相关的疾病,例如类风湿性关节炎中与过度破骨细胞活性相关的骨质流失、骨质疏松症、癌症相关骨病、帕吉特病等;以及癌症,如血液系统恶性肿瘤、实体肿瘤等。
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