3-(4-硝基苯氧基)-1-丙胺 | 100841-04-1

• 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: 3-(4-硝基苯氧基)-1-丙胺
• 中文别名: 3-(4-硝基苯氧基)丙胺
• 英文名称: (p-nitrophenoxy)propylamine
• 英文别名: 3-(4-nitro-phenoxy)-propylamine；3-(4-nitrophenoxy)propan-1-amine
• CAS: 100841-04-1
• 化学式: C₉H₁₂N₂O₃
• 分子量: 196.206
• InChiKey: OQDSYPZEHFBRIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  3-(4-硝基苯氧基)-1-丙胺 在 palladium on activated charcoal sodium hydroxide 、 sodium tetrahydroborate 、 sodium azide 、 4 A molecular sieve 、 氢气 、 溶剂黄146 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、241.32 kPa 条件下， 反应 65.25h， 生成 dl-16-(4'-azidophenoxy)-17,18,19,20-tetranor-13-azaprostanoic acid
  参考文献：
  名称：

  Preparation and biological evaluation of a potential photoaffinity label for the prostaglandin H2/thromboxane A2 receptor

  摘要：

  Two aromatic azides (24 and 26) were prepared as potential photoaffinity probes for the PGH2/TXA2 receptor. The compounds are based on the well-characterized PGH2/TXA2 receptor antagonist 13-azaprostanoic acid, with the terminus of its lower side chain replaced with phenoxy (24) or benzyl (26) azide functionality. The two compounds were shown to irreversibly inhibit platelet function after photolysis and resuspension. However, of the two aromatic azides, only the benzyl derivative 26 appeared to be selective for the prostaglandin pathway. The latter compound was also prepared as the aromatic 125I (29) derivative, which may ultimately prove useful as a labeled probe for the identification and isolation of the putative TXA2/PGH2 receptor.

  DOI：

  10.1021/jm00388a029
• 作为产物：
  描述：

  4-(4-nitrophenoxy)butanoic acid 在 乙醇 、 一水合肼 作用下， 生成 3-(4-硝基苯氧基)-1-丙胺
  参考文献：
  名称：

  Ishidate et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1952, vol. 72, p. 88,89

  摘要：

  DOI：

文献信息

• Inhibitors of dihydropteroate synthase: substituent effects in the side-chain aromatic ring of 6-[[3-(aryloxy)propyl]amino]-5-nitrosoisocytosines and synthesis and inhibitory potency of bridged 5-nitrosoisocytosine-p-aminobenzoic acid analogs
  作者：O. William Lever、Lawrence N. Bell、Clifton Hyman、H. Michael McGuire、Robert Ferone

  DOI：10.1021/jm00155a014

  日期：1986.5

  6-amino substituents larger than methyl were detrimental to binding, although the adverse steric effect could be overcome by a positive ancillary binding contribution of a phenyl ring attached at the terminus of certain 6-alkylamino substituents. We selected the 6-[[3-(aryloxy)propyl]amino]-5-nitrosoisocytosine structure as a parent system and explored the effects of aromatic substituents on synthase

  我们先前曾报道6-（甲基氨基）-5-亚硝基异胞嘧啶（5）是大肠杆菌二氢蝶呤合酶的有效抑制剂（I50 = 1.6 microM）。注意到大于甲基的6-氨基取代基不利于结合，尽管可以通过在某些6-烷基氨基取代基的末端连接的苯环的辅助辅助结合作用来克服不利的空间效应。我们选择6-[[[3-（芳氧基）丙基]氨基] -5-亚硝基异胞嘧啶结构作为母体系统，并探讨了芳香族取代基对合酶抑制的影响。芳基取代的性质会影响结合，如15种芳基类似物的30倍抑制力范围所示（I50值= 0.6-18 microM），尽管合酶抑制与芳基取代基的电子或疏水特性之间没有明显的相关性。为了探索这些抑制剂的芳环可能与底物对氨基苯甲酸（PABA）的合酶结合位点相互作用的可能性，合成了三种化合物，其中PABA类似物通过与氨基连接而桥接到亚硝基异胞嘧啶部分在异胞嘧啶的C-6上。与（芳氧基）丙基系列的其他成员相比，桥接的类似物显着抑制了合酶（I50值=
• 액정 배향 처리제
  申请人：Nissan Chemical Corporation 닛산 가가쿠 가부시키가이샤(519980958906)

  公开号：KR20150138410A

  公开（公告）日：2015-12-09

  러빙 처리시의 막 표면에 대한 스크레치나 깎임이 적고, 액정의 배향성이 양호하고, 또한 액정 셀의 전압 유지율이 높고, 이온 밀도도 낮은 액정 배향막이 얻어지는 액정 배향 처리제를 제공한다. 디아민 성분과 테트라카르복실산 유도체를 반응시켜 얻어지는 폴리이미드 전구체 또는 폴리이미드의 어느 하나를 함유하는 액정 배향 처리제로서, 상기 디아민 성분은 하기 식 (1) 로 나타내는 디아민을 함유하는 것을 특징으로 하는 액정 배향 처리제. (식 (1) 중, X 는 산소 원자 또는 황 원자이고, Y 및 Y 는 각각 독립적으로, 단결합, -O-, -S-, -OCO-, 또는 -COO- 이고, R 및 R 는 각각 독립적으로 탄소수 1 ∼ 3 의 알킬렌기이다)

  提供了一种液晶取向处理剂，其在液晶取向处理时对阻挡层表面的划痕或磨损较少，液晶的取向性良好，并且液晶单元格的电压保持率高，离子密度低。液晶取向处理剂包含由二胺成分和四羧酸衍生物反应得到的聚酰亚胺树脂或聚酰亚胺的任意一种。上述二胺成分特征在于包含如下式(1)所示的二胺。式(1)中，X是氧原子或硫原子，Y和Y'各自独立地为单键，-O-, -S-, -OCO-, 或-COO-，R和R'各自独立地为碳数为1至3的烷基。
• Novel phenoxyalkylamine derivatives. II. Synthesis and Ca2+-antagonistic activities of .ALPHA.-alkyl-.ALPHA.-((phenoxypropylamino)propyl)-benzeneacetonitrile derivatives.
  作者：KAZUYA MITANI、TOSHIHIKO YOSHIDA、SHUNICHIRO SAKURAI、KOJI MORIKAWA、YUJI IWANAGA、EIICHI KOSHINAKA、HIDEO KATO、YASUO ITO

  DOI：10.1248/cpb.36.373

  日期：——

  α-Alkyl-α-[(phenoxypropylamino)propyl]benzeneacetonitrile derivatives containing various substituents on the ring of the benzeneacetonitrile moiety (A), the quaternary carbon atom and the ring of the phenoxy moiety (B) were prepared, and their Ca2+-antagonistic activities were evaluated. Among these compounds, the N-Me derivatives with a 3, 4, 5-(OMe)3 group on the A ring, an iso-Pr group on the quaternary carbon atom, and a m-OMe, 3, 5-(OMe)2, 3, 5-Me2 or 3, 4, 5-(OMe)3 group on the B ring were found to possess Ca2+-antagonistic activity higher than pA2=9. The effects of substitutions at the A ring, the quaternary carbon atom and the B ring are discussed.

  含有不同取代基的α-烷基-α-[(苯氧丙胺)丙基]苯乙腈衍生物被合成，并评估了它们的Ca2+拮抗活性。在这些化合物中，具有在A环上带有3, 4, 5-(OMe)3基团、在四级碳原子上带有iso-Pr基团，以及在B环上带有m-OMe、3, 5-(OMe)2、3, 5-Me2或3, 4, 5-(OMe)3基团的N-Me衍生物被发现具有高于pA2=9的Ca2+拮抗活性。讨论了在A环、四级碳原子和B环上的取代效应。
• MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Melinta Therapeutics, Inc.

  公开号：US20150158901A1

  公开（公告）日：2015-06-11

  The present invention provides macrocyclic compounds useful as therapeutic agents of the formula: or a pharmaceutically acceptable salt, ester, N-oxide, or prodrug thereof, wherein T, R 1 , R 2 , R 3 , D, E, F, and G are as defined herein. More particularly, these compounds are useful as anti-infective, antiproliferative, anti-inflammatory and prokinetic agents.

  本发明提供了用作治疗剂的大环化合物，其化学式为：其中T，R1，R2，R3，D，E，F和G的定义如本文所述，或其药学上可接受的盐，酯，N-氧化物或前药。更具体地说，这些化合物可用作抗感染，抗增殖，抗炎和促动力剂。
• TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Melinta Therapeutics, Inc.

  公开号：US20160152654A1

  公开（公告）日：2016-06-02

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. These compounds are represented by the following formula (I): wherein R 1 , R 2 , etc. are defined as in claim 1.

  本发明提供了三唑宏环化合物，其作为治疗剂具有用途。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。这些化合物由以下公式（I）表示：其中R1、R2等在权利要求书中定义。