(R)-3-(1-氨基乙基)苯胺 | 317830-29-8

• 物质功能分类: 医药中间体 - 二苯胺类中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (R)-3-(1-氨基乙基)苯胺
• 中文别名: (S)-3-(1-氨基乙基)苯胺；(S)-1-(3-氨基苯基)-1-氨基乙烷
• 英文名称: (S)-1-(3-aminophenyl)-1-aminoethane
• 英文别名: 3-[(1S)-1-aminoethyl]aniline；(S)-3-(1-Aminoethyl)aniline
• CAS: 317830-29-8
• 化学式: C₈H₁₂N₂
• 分子量: 136.197
• InChiKey: MBWYRMCXWROJMP-LURJTMIESA-N

物化性质

• 沸点：
  266.5±15.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2921590090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  (R)-3-(1-氨基乙基)苯胺 在 silica gel 、 potassium carbonate 、 copper(II) sulfate 、 三乙胺 、 碘甲烷 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 反应 2.0h， 生成 [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[N-cyano-N'-(4-cyano-3-methoxyphenyl)carbamimidoyl]amino]phenyl]ethyl]carbamate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel inosine 5′-monophosphate dehydrogenase (IMPDH) inhibitors

  摘要：

  This study is based on our attempts to further explore the structure-activity relationship (SAR) of VX-148 (3) in an attempt to identify inosine 5'-mono-phosphate dehydrogenase (IMPDH) inhibitors superior to mycophenolic acid. A five-point pharmacophore developed using structurally diverse, known IMPDH inhibitors guided further design of novel analogs of 3. Several conventional as well as novel medicinal chemistry strategies were tried. The combined structure-and ligand-based approaches culminated in a few analogs with either retained or slightly higher potency. The compounds which retained the potency were also checked for their ability to inhibit human peripheral blood mononuclear cells proliferation. This study illuminates the stringent structural requirements and strict SAR for IMPDH II inhibition.

  DOI：

  10.3109/14756366.2013.793184
• 作为产物：
  描述：

  1-(3-硝基苯基)乙醇 在 D-酒石酸 、 叠氮磷酸二苯酯 、 10 wt% Pd(OH)2 on carbon 、 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 甲苯 为溶剂， 生成 (R)-3-(1-氨基乙基)苯胺
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel inosine 5′-monophosphate dehydrogenase (IMPDH) inhibitors

  摘要：

  This study is based on our attempts to further explore the structure-activity relationship (SAR) of VX-148 (3) in an attempt to identify inosine 5'-mono-phosphate dehydrogenase (IMPDH) inhibitors superior to mycophenolic acid. A five-point pharmacophore developed using structurally diverse, known IMPDH inhibitors guided further design of novel analogs of 3. Several conventional as well as novel medicinal chemistry strategies were tried. The combined structure-and ligand-based approaches culminated in a few analogs with either retained or slightly higher potency. The compounds which retained the potency were also checked for their ability to inhibit human peripheral blood mononuclear cells proliferation. This study illuminates the stringent structural requirements and strict SAR for IMPDH II inhibition.

  DOI：

  10.3109/14756366.2013.793184

文献信息

• Src kinase inhibitor compounds
  申请人：Merck & Co., Inc.

  公开号：US06498165B1

  公开（公告）日：2002-12-24

  Pyrimidine compounds (Formula I), or their pharmaceutically acceptable salts, hydrates, solvates, crystal forms and individual diastereomers, and pharmaceutical compositions including the same, which are inhibitors of tyrosine kinase enzymes, and as such are useful in the prophylaxis and treatment of protein tyrosine kinase-associated disorders, such as immune diseases, hyperproliferative disorders and other diseases in which inappropriate protein kinase action is believed to play a role, such as cancer, angiogensis, atheroscelerosis, graft rejection, rheumatoid arthritis and psoriasis.

  嘧啶化合物（化学式I），或其药用可接受的盐、水合物、溶剂合物、晶型和单一对映异构体，以及包括这些化合物的药物组合物，它们是酪氨酸激酶酶的抑制剂，因此在预防和治疗蛋白酪氨酸激酶相关疾病方面具有用处，如免疫疾病、高增殖性疾病和其他认为不当的蛋白激酶作用可能起作用的疾病，如癌症、血管生成、动脉粥样硬化、移植排斥、类风湿性关节炎和牛皮癣。
• Novel Substituted Imidazole Derivative
  申请人：Kawamura Mikako

  公开号：US20080070894A1

  公开（公告）日：2008-03-20

  The present invention relates to a compound represented by Formula [I] or a pharmaceutically acceptable salt or ester thereof: wherein: X 1 , X 2 , X 3 , and X 4 , which may be identical or different, are each C or N, provided that none to two of X 1 , X 2 , X 3 , and X 4 is/are N; Y is CH or N; R 1 , R 1 ′, R 2 , R 2 ′, R 3 , R 3 ′, R 4 , and R 4 ′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 5 is a hydrogen atom or a methyl group; R 6 and R 7 , which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 8 and R 8 ′, which may be identical or different, are each a hydrogen atom, a lower alkyl group, or the like; R 9 is an aryl group or a heteroaryl group which may be substituted; and n is an integer from 1 to 3, and a PLK1 inhibitor or an anticancer agent containing the same.

  本发明涉及一种由式[I]表示的化合物或其药学上可接受的盐或酯：其中，X1、X2、X3和X4可以相同也可以不同，分别为C或N，但是X1、X2、X3和X4中至少有一个或最多两个是N；Y为CH或N；R1、R1'、R2、R2'、R3、R3'、R4和R4'可以相同也可以不同，分别为氢原子、低碳基或类似物；R5为氢原子或甲基基团；R6和R7可以相同也可以不同，分别为氢原子、低碳基或类似物；R8和R8'可以相同也可以不同，分别为氢原子、低碳基或类似物；R9为取代的芳基或杂环基；n为1到3的整数。本发明还涉及一种PLK1抑制剂或含有该化合物的抗癌剂。
• INHIBITORS OF KINASE ACTIVITY
  申请人：Burns Christopher John

  公开号：US20100130447A1

  公开（公告）日：2010-05-27

  The present invention relates to pyridines or pyrazines that inhibit kinases. In particular the compounds of the invention inhibit members of the class III PTK receptor family such as FMS (CSF-IR), c-KIT, PDGFRβ, PDGFRα or FLT3 and KDR, SRC, EphA2, EphA3, EphA8, FLT1, FLT4, HCK, LCK, PTK5 (FRK), SYK, DDR1 and DDR2 and RET. The compounds of the invention are useful in the treatment of kinase associated diseases such as immunological and inflammatory diseases; hyperproliferative diseases including cancer and diseases involving neo-angiogenesis; renal and kidney diseases; bone remodeling diseases; metabolic diseases; and vascular diseases.

  本发明涉及抑制激酶的吡啶或吡嗪类化合物。特别地，本发明的化合物抑制III类PTK受体家族的成员，如FMS（CSF-IR）、c-KIT、PDGFRβ、PDGFRα或FLT3和KDR、SRC、EphA2、EphA3、EphA8、FLT1、FLT4、HCK、LCK、PTK5（FRK）、SYK、DDR1和DDR2以及RET。本发明的化合物在治疗激酶相关疾病方面具有用途，包括免疫和炎症性疾病；增生性疾病，包括癌症和涉及新生血管形成的疾病；肾脏疾病；骨重塑性疾病；代谢性疾病；以及血管疾病。
• Substituted pyrazines as inhibitors of kinase activity
  申请人：Burns Christopher John

  公开号：US08461161B2

  公开（公告）日：2013-06-11

  Compunds of the general formula wherein each of Z1-Z4 is N or CR1 wherein only two of said Z1-Z4 may be N are useful as kinase inhibitors.

  通式为其中Z1-Z4中每个都是N或CR1，其中只有两个Z1-Z4可以是N的化合物可用作激酶抑制剂。
• Pyridine derivatives useful as kinase inhibitors
  申请人：YM Biosciences Australia Pty Ltd

  公开号：US09029386B2

  公开（公告）日：2015-05-12

  Derivatives of pyridine of the formula wherein one of Y and A is CR and the other is N are kinase inhibitors useful in treating conditions associated with excess kinase activity.

  公式为其中一个Y和A是CR，另一个是N的吡啶衍生物是激酶抑制剂，用于治疗与过度激酶活性相关的疾病。