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2-(4-aminophenyl)-propane-1,3-diol | 126489-69-8

中文名称
——
中文别名
——
英文名称
2-(4-aminophenyl)-propane-1,3-diol
英文别名
2-(4-Aminophenyl)propane-1,3-diol
2-(4-aminophenyl)-propane-1,3-diol化学式
CAS
126489-69-8
化学式
C9H13NO2
mdl
——
分子量
167.208
InChiKey
UYGGXXUCYAGIHX-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):
    -0.2
  • 重原子数:
    12
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    66.5
  • 氢给体数:
    3
  • 氢受体数:
    3

SDS

SDS:501b4d5734410c0771dd6a52afb702c0
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 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-(4-aminophenyl)-propane-1,3-diol盐酸sodium hydroxidecopper(l) chloride 、 sodium nitrite 作用下, 以 乙醇 为溶剂, 反应 6.0h, 生成 2-(4-carboxyphenyl)-1,3-propanediol
    参考文献:
    名称:
    Design and Synthesis of Benzoic Acid Derivatives as Influenza Neuraminidase Inhibitors Using Structure-Based Drug Design
    摘要:
    A series of 94 benzoic acid derivatives was synthesized and tested for its ability to inhibit influenza neuraminidase. The enzyme-inhibitor complex structure was determined by X-ray crystallographic analysis for compounds which inhibited the enzyme. The most potent compound tested in vitro, 5 (4-(acetylamino)-3-guanidinobenzoic acid), had an IC50 = 2.5 x 10(-6) M against N9 neuraminidase. Compound 5 was oriented in the active site of the neuraminidase ina manner that was not predicted from the reported active site binding of GANA (4) with neuraminidase. In a mouse model of influenza, 5 did not protect the mice from weight loss due to the influenza virus when dosed intranasally.
    DOI:
    10.1021/jm970479e
  • 作为产物:
    描述:
    2-(4-硝基苯基)-1,3-丙烷二醇 在 1% Pd/C 、 氢气 作用下, 以 甲醇 为溶剂, 生成 2-(4-aminophenyl)-propane-1,3-diol
    参考文献:
    名称:
    Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors
    摘要:
    During efforts to improve the bioavailability of FMS kinase inhibitors 1 and 2, a series of saturated and aromatic 4-heterocycles of reduced basicity were prepared and evaluated in an attempt to also improve the cardiovascular safety profile over lead arylamide 1, which possessed ion channel activity. The resultant compounds retained excellent potency and exhibited diminished ion channel activity. (c) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2010.05.013
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文献信息

  • Pyrimidines and uses thereof
    申请人:Cell Therapeutics, Inc.
    公开号:US20040204386A1
    公开(公告)日:2004-10-14
    The invention relates to pyrimidines and uses thereof, including to inhibit lysophosphatidic acid acyltransferase &bgr; (LPAAT-&bgr;) activity and/or proliferation of cells such as tumor-cells.
    这项发明涉及嘧啶类化合物及其用途,包括抑制溶磷脂酸酰基转移酶β(LPAAT-β)活性和/或抑制肿瘤细胞等细胞的增殖。
  • INHIBITORS OF C-FMS KINASE
    申请人:Illig Carl R.
    公开号:US20070249593A1
    公开(公告)日:2007-10-25
    The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.
    本发明涉及式I化合物:其中Z、X、J、R2和W在说明书中规定,以及抑制蛋白酪氨酸激酶,尤其是c-fms激酶的溶剂化物、水合物、互变异构体和药用盐。治疗自身免疫病;和治疗具有炎症成分的疾病;治疗来自卵巢癌、子宫癌、乳腺癌、前列腺癌、肺癌、结肠癌、胃癌、毛细胞白血病的转移;和治疗疼痛,包括由肿瘤转移或骨关节炎引起的骨骼疼痛,或内脏、炎症性和神经性疼痛;以及骨质疏松症、佩吉特病,以及骨吸收介导病状的其它疾病,包括类风湿性关节炎、其它形式的炎症性关节炎、骨关节炎、假体失败、溶骨肉瘤、骨髓瘤和骨转移瘤,也提供了式I化合物。
  • Synthesis of 5-chloro-N-aryl-1H-indole-2-carboxamide derivatives as inhibitors of human liver glycogen phosphorylase a
    作者:Kenichi Onda、Takayuki Suzuki、Ryota Shiraki、Yasuhiro Yonetoku、Kenji Negoro、Kazuhiro Momose、Naoko Katayama、Masaya Orita、Tomohiko Yamaguchi、Mitsuaki Ohta、Shin-ichi Tsukamoto
    DOI:10.1016/j.bmc.2008.04.010
    日期:2008.5
    A series of 5-chloro-N-aryl-1H-indole-2-carboxamide derivatives were prepared and evaluated as inhibitors of human liver glycogen phosphorylase a (hLGPa). One compound, 5-chloro-N-[4-(1,2-dihydroxyethyl)phenyl]-1H-indole-2-carboxamide (2f), inhibited hLGPa with an IC(50) of 0.90microM. The pyridine analogue of 2f showed inhibitory activity of glucagon-induced glucose output in cultured primary hepatocytes
    制备了一系列5-氯-N-芳基-1H-吲哚-2-羧酰胺衍生物,并将其评估为人肝糖原磷酸化酶α(hLGPa)的抑制剂。一种化合物5-氯-N- [4-(1,2-二羟乙基)苯基] -1H-吲哚-2-羧酰胺(2f)抑制hLGPa,IC(50)为0.90microM。2f的吡啶类似物在培养的原代肝细胞中具有胰高血糖素诱导的葡萄糖输出抑制活性,IC(50)为0.62microM,在糖尿病db / db小鼠中具有口服降血糖活性。晶体学测定2f与hLGPa的配合物显示抑制剂在二聚体界面的溶剂腔中结合,两个羟基与hLGPa形成有利的静电相互作用。
  • Blue anthraquinone disperse dyes and mixtures of blue disperse dyes
    申请人:Ciba-Geigy Corporation
    公开号:US04964876A1
    公开(公告)日:1990-10-23
    The dye mixture mentioned in claim 1 or one of the dyes mentioned in claims 12 or 13 are used for the dyeing of polyester textile material.
    权利要求书1中提到的染料混合物或权利要求书12或13中提到的染料之一,用于涤纶纺织材料的染色。
  • Inhibitors of C-FMS Kinase
    申请人:Illig Carl R.
    公开号:US20080275031A1
    公开(公告)日:2008-11-06
    The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.
    本发明涉及公式I的化合物:其中Z,X,J,R2和W在规范中设置,以及其溶剂化物,水合物,互变异构体和药学上可接受的盐,该化合物抑制蛋白酪氨酸激酶,特别是c-fms激酶。本发明还提供了使用公式I化合物治疗自身免疫性疾病和具有炎症成分的疾病的方法;治疗卵巢癌,子宫癌,乳腺癌,前列腺癌,肺癌,结肠癌,胃癌,毛细胞白血病的转移;以及治疗疼痛,包括由肿瘤转移或骨关节炎引起的骨骼疼痛,或脏器,炎症和神经源性疼痛;以及骨质疏松症,帕吉特氏病和其他骨吸收介导发病率的疾病,包括类风湿性关节炎和其他形式的炎性关节炎,骨关节炎,假体失败,骨溶性肉瘤,骨髓瘤和肿瘤转移至骨骼的公式I化合物。
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