2-氨基-4-氯-6-乙基嘧啶 | 5734-67-8

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-氨基-4-氯-6-乙基嘧啶
• 中文别名: 4-氯-6-乙基嘧啶-2-胺
• 英文名称: 4-chloro-6-ethylpyrimidin-2-amine
• 英文别名: 2-amino-4-chloro-6-ethylpyrimidine
• CAS: 5734-67-8
• 化学式: C₆H₈ClN₃
• mdl: MFCD09800366
• 分子量: 157.603
• InChiKey: GZOWPTJWHDWHPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2-氨基-4-氯-6-乙基嘧啶 在 ammonium hydroxide 、 sodium hydroxide 、 dipotassium hydrogenphosphate 、 Pd(OAc)2(dppf)2 、 碘 作用下， 以 乙二醇二甲醚 、 氯仿 为溶剂， 反应 31.0h， 生成 乙胺嘧啶
  参考文献：
  名称：

  Richardson, Marianne L.; Stevens, Malcolm F.G., Journal of Chemical Research - Part S, 2002, # 10, p. 482 - 484

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氧代戊酸甲酯 在 potassium tert-butylate 、 四乙基氯化铵 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 0.33h， 生成 2-氨基-4-氯-6-乙基嘧啶
  参考文献：
  名称：

  Discovery and SAR of 6-Alkyl-2,4-diaminopyrimidines as Histamine H₄ Receptor Antagonists

  摘要：

  This report discloses the discovery and SAR of a series of 6-alkyl-2-aminopyrimidine derived histamine H4 antagonists that led to the development of JNJ 39758979, which has been studied in phase II clinical trials in asthma and atopic dermatitis. Building on our SAR studies of saturated derivatives from the indole carboxamide series, typified by JNJ 7777120, and incorporating knowledge from the tricyclic pyrimidines led us to the 6-alkyl-2,4-diaminopyrimidine series. A focused medicinal chemistry effort delivered several 6-alkyl-2,4-diaminopyrimidines that behaved as antagonists at both the human and rodent H4 receptor. Further optimization led to a panel of antagonists that were profiled in animal models of inflammatory disease. On the basis of the preclinical profile and efficacy in several animal models, JNJ 39758979 was selected as a clinical candidate; however, further development was halted during phase II because of the observation of drug-induced agranulocytosis (DIAG) in two subjects.

  DOI：

  10.1021/jm401727m

文献信息

• Pyrimidine Derivatives As HSP90 Inhibitors
  申请人：Chessari Gianni

  公开号：US20090215777A1

  公开（公告）日：2009-08-27

  The invention provides a compound for use as an inhibitor of Hsp90, the compound having the formula (I): or salts, tautomers, solvates or N-oxides thereof; wherein: A is N or a group CR 3 ; R 1 is a monocyclic or bicyclic carbocyclic or heterocyclic ring of 5 to 10 ring members of which up to two ring members may be heteroatoms selected from N, O and S and the remainder are carbon atoms, the carbocyclic or heterocyclic ring being optionally substituted by one or more substituent groups independently selected from R 10 ; and R 2 , R 3 and R 10 are as defined in the claims.

  该发明提供了一种化合物，用作Hsp90的抑制剂，该化合物具有以下式（I）：或其盐、互变异构体、溶剂合物或N-氧化物；其中：A为N或CR基团；R1为由5至10个环成员组成的单环或双环碳环或杂环，其中最多两个环成员可以是从N、O和S中选择的杂原子，其余为碳原子，碳环或杂环可以选择地被一个或多个取代基独立地选择自R10的取代基取代；而R2、R3和R10如权利要求中所定义。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010120854A1

  公开（公告）日：2010-10-21

  The invention is directed to to substituted indazole derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R1 - R6 and X are defined herein. The compounds of the invention are inhibitors of PDK1 and can be useful in the treatment of disorders characterized by constitutively activated ACG kinases such as cancer and more specifically leukemia and cancers of the breast, colon, and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting PDK1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代吲唑衍生物。具体而言，本发明涉及根据公式I的化合物：其中R1-R6和X在此定义。本发明的化合物是PDK1的抑制剂，可用于治疗由组成性激活的ACG激酶（如癌症，特别是白血病、乳腺癌、结肠癌和肺癌）引起的疾病。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制PDK1活性和治疗相关疾病的方法。
• [EN] 5-ALKYNYL-PYRIMIDINES<br/>[FR] 5-ALCYNYL-PYRIMIDINES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010012740A1

  公开（公告）日：2010-02-04

  The present invention encompasses compounds of general Formula (1) wherein R1 to R4 are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a medicament having the above-mentioned properties.

  本发明涵盖了一般式（1）中R1至R4如权利要求1所定义的化合物，适用于治疗以细胞过度增殖或异常增殖为特征的疾病，并用于制备具有上述特性的药物。
• 5-Alkynyl-pyridines
  申请人：BOEHRINGER INGELHEIM INTERNATIONAL GMBH

  公开号：EP2546249A1

  公开（公告）日：2013-01-16

  This invention relates to 5-alkynyl-pyridine of general formula (I) their use as inhibitors of the activity ofPI3Kalpha, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R1 to R6 and n have the meanings given in the claims and in the specification.

  这项发明涉及一般式(I)的5-炔基吡啶 它们作为PI3Kα活性抑制剂的用途，含有它们的药物组合物，以及它们作为治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物的用途。 R1到R6和n的含义如权利要求和说明书中所述。
• Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament
  申请人：Biofrontera Pharmaceuticals AG

  公开号：EP1321169A1

  公开（公告）日：2003-06-25

  The present invention relates to the use of (S)-α-fluoromethylhistidine and esters and pharmaceutically acceptable salts thereof in combination with a serotonin receptor antagonist or a pharmaceutically acceptable salt thereof as a medicament and for the manufacture of a medicament for treatment of a disease state which can be alleviated by treatment with a serotonin receptor antagonist and/or a histamine receptor antagonist.

  本发明涉及使用(S)-α-氟甲基组氨酸及其酯和药学上可接受的盐与5-羟色胺受体拮抗剂或其药学上可接受的盐结合作为药物，并用于制造一种治疗可通过使用5-羟色胺受体拮抗剂和/或组胺受体拮抗剂进行缓解的疾病状态的药物。