4-氯-5-碘-2,6-二甲基嘧啶 | 83410-16-6

• 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: 4-氯-5-碘-2,6-二甲基嘧啶
• 英文名称: 4-chloro-5-iodo-2,6-dimethylpyrimidine
• 英文别名: 4-chloro-2,6-dimethyl-5-iodopyrimidine
• CAS: 83410-16-6
• 化学式: C₆H₆ClIN₂
• 分子量: 268.485
• InChiKey: UNEBOKDKZGLMCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  4-氯-5-碘-2,6-二甲基嘧啶 在 四(三苯基膦)钯 、 碳酸氢钠 、 lithium chloride 作用下， 以 1,4-二氧六环 、 正丁醇 为溶剂， 反应 95.0h， 生成 4-(4-bromobenzylamino)-2,6-dimethyl-5-(1-ethoxyvinyl)pyrimidine
  参考文献：
  名称：

  Metabolites of the Angiotensin II Antagonist Tasosartan:  The Importance of a Second Acidic Group

  摘要：

  Described in this paper is the synthesis and pharmacological activity of five metabolites of the angiotensin II antagonist tasosartan (1). Of particular interest is the effect of the additional acidic group of the enol metabolite (8) on activity. As suggested by the structural-activity relationship of other angiotensin II antagonist series, a second acidic group can improve receptor binding activity but decrease in vivo activity after oral dosing. The metabolic introduction of a second acidic group in tasosartan bypasses this problem and contributes to the excellent profile of the compound. A molecular modeling study provides a rationale for the role of the enol group of 8 in AT(1) receptor binding.

  DOI：

  10.1021/jm970690q
• 作为产物：
  描述：

  2,4-二甲基-6-羟基嘧啶 在 碘 、 sodium hydroxide 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 4.0h， 生成 4-氯-5-碘-2,6-二甲基嘧啶
  参考文献：
  名称：

  Compounds for treating spinal muscular atrophy

  摘要：

  本文提供了用于治疗脊髓性肌萎缩症的化合物、其组合物和使用方法。在一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN2基因转录的mRNA中SMN2的外显子7的包含。在另一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN1基因转录的mRNA中SMN1的外显子7的包含。在另一个实施例中，本文提供了一种形式的化合物，可用于调节从SMN1和SMN2基因分别转录的mRNA中SMN1和SMN2的外显子7的包含。

  公开号：

  US09617268B2

文献信息

• Compounds for treating spinal muscular atrophy
  申请人：PTC Therapeutics Inc.

  公开号：US09617268B2

  公开（公告）日：2017-04-11

  Provided herein are compounds, compositions thereof and uses therewith for treating spinal muscular atrophy. In a specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN2 into mRNA that is transcribed from the SMN2 gene. In another specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 into mRNA that is transcribed from the SMN1 gene. In yet another embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 and SMN2 into mRNA that is transcribed from the SMN1 and SMN2 genes, respectively.

  本文提供了用于治疗脊髓性肌萎缩症的化合物、其组合物和使用方法。在一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN2基因转录的mRNA中SMN2的外显子7的包含。在另一个具体实施例中，本文提供了一种形式的化合物，可用于调节从SMN1基因转录的mRNA中SMN1的外显子7的包含。在另一个实施例中，本文提供了一种形式的化合物，可用于调节从SMN1和SMN2基因分别转录的mRNA中SMN1和SMN2的外显子7的包含。
• Synthesis of Pyrimido[5′,4′:4,5]pyrrolo[1,2-<i>f</i>]phenanthridines by a One-Pot C-N-Coupling/Hydroamination/C-H-Arylation Sequence
  作者：Ngo Nghia Pham、Ghazwan Ali Salman、Nadjah Belattar、Tuan Thanh Dang、Peter Ehlers、Peter Langer

  DOI：10.1002/ejoc.201601569

  日期：2017.2.3

  A modular and atom‐economic synthetic pathway towards 11,13‐dimethylpyrimido[5′,4′:4,5]pyrrolo[1,2‐f]phenanthridines is described. The protocol features a chemoselective Sonogashira reaction of a 4,5‐dihalopyrimidine followed by a domino C–N coupling/hydroamination and C–H arylation that can be achieved in a one‐pot process. The yields vary from moderate to good.

  描述了通往11,13-二甲基嘧啶[5'，4'：4,5]吡咯并[1,2- f ]菲啶的模块化且原子经济的合成途径。该方案的特征是4,5-二卤代嘧啶的化学选择性Sonogashira反应，然后可以在一个锅中完成多米诺骨牌C-N偶联/加氢胺化和C-H芳基化反应。产量从中等到良好不等。
• Studies on pyrimidine derivatives. XXVIII. Synthesis of pyridopyrimidine derivatives by cross-coupling of halopyrimidines with olefins and acetylenes.
  作者：TAKAO SAKAMOTO、YOSHINORI KONDO、HIROSHI YAMANAKA

  DOI：10.1248/cpb.30.2410

  日期：——

  Three kinds of pyridopyrimidines were synthesized from appropriate pyrimidine derivatives. Cross-coupling of 4-amino-5-iodopyrimidines with α, β-unsaturated carboxylic esters followed by ring-closure afforded pyrido [2, 3-d] pyrimidines. Ammonolysis of 4-ethoxycarbonyl-5-phenylethynyl-and 5-ethoxycarbonyl-4-phenyl-ethynyl-pyrimidines which were obtained by cross-coupling of the corresponding halopyrimidines with phenylacetylene, gave pyrido [3, 4-d]-and pyrido [4, 3-d]-pyrimidines, respectively.

  由适当的嘧啶衍生物合成了三种吡啶嘧啶。4-amino-5-iodopyrimidines 与 α, β-unsaturated carboxylic esters 发生交叉偶联，然后进行闭环反应，得到吡啶并[2, 3-d] 嘧啶。4- 乙氧羰基-5-苯基乙炔基和 5- 乙氧羰基-4-苯基乙炔基嘧啶通过相应的卤代嘧啶与苯乙炔的交叉偶联得到了吡啶并[3，4-d]嘧啶和吡啶并[4，3-d]嘧啶。
• HETEROCYCLIC COMPOUND AND USE OF THE SAME
  申请人：Nishio Tetsuya

  公开号：US20110319618A1

  公开（公告）日：2011-12-29

  Provided is a compound represented by general formula (6) and pharmaceutically acceptable salts thereof. (In the formula, R 1 is a hydrogen atom or a C 1-6 alkyl group; R 2 is a hydrogen atom or a C 1-6 alkyl group; R 3 is a hydrogen atom, a halogen atom, a C 1-6 alkyl group, or a C 1-6 haloalkyl group.)

  提供的是以一般式（6）表示的化合物及其药用可接受的盐。（在该式中，R1是氢原子或C1-6烷基；R2是氢原子或C1-6烷基；R3是氢原子、卤素原子、C1-6烷基或C1-6卤代烷基。）
• Substituted pyridopyrimidines and antihypertensives
  申请人：American Home Products Corporation

  公开号：US05466692A1

  公开（公告）日：1995-11-14

  This invention relates to substituted pyridopyrimidinones of general formula (I): ##STR1## wherein R.sup.1 and R.sup.2 are independently H, lower alkyl containing 1 to 6 carbon atoms, hydroxyalkyl containing 1 to 6 carbon atoms, formyl, carbonylalkyl containing 1 to 6 carbon atoms, carboxy, or carboxyalkyl containing 1 to 6 carbon atoms; R.sup.3 and R.sup.4 are independently H, lower alkyl containing 1 to 6 carbon atoms, hydroxy; R.sup.3a and R.sup.4a are H, and when taken together with R.sup.3 and R.sup.4 respectively comprise a carbonyl; with the proviso that at least one of the groups R1 and R.sup.2 must be hydroxyalkyl, formyl, carbonylalkyl containing 1 to 6 carbon atoms, carboxy, or carboxyalkyl containing 1 to 6 carbon atoms; or R.sup.3 and R.sup.4 must be hydroxy or taken together with R.sup.3a and R.sup.4a respectively must comprise a carbonyl; n is 0 to 3; Ar.sup.1 is ##STR2## wherein W is H, lower alkyl containing 1 to 6 carbon atoms, halogen, hydroxy, or lower alkoxy containing 1 to 6 carbon atoms; Ar.sup.2 is ##STR3## wherein X is CO.sub.2 H, CN, or ##STR4## wherein R.sup.5 is H, CH.sub.3, tert-butyl, tri-n-butylstannyl, or triphenylmethyl; and the pharmaceutically acceptable salts thereofuseful for treating hypertension and congestive heart failure, to pharmaceutical compositions, and to methods for production thereof.

  这项发明涉及通式（I）的取代吡啶吡嘧啶酮：其中R.sup.1和R.sup.2分别是H、含有1至6个碳原子的较低烷基、含有1至6个碳原子的羟基烷基、甲酰基、含有1至6个碳原子的羰基烷基、羧基或含有1至6个碳原子的羧基烷基；R.sup.3和R.sup.4分别是H、含有1至6个碳原子的较低烷基、羟基；R.sup.3a和R.sup.4a是H，且与R.sup.3和R.sup.4分别结合时包括一个羰基；但必须至少有R1和R.sup.2中的一个是羟基烷基、甲酰基、含有1至6个碳原子的羰基烷基、羧基或含有1至6个碳原子的羧基烷基；或R.sup.3和R.sup.4必须是羟基，或者与R.sup.3a和R.sup.4a分别结合时必须包括一个羰基；n为0至3；Ar.sup.1为其中W为H、含有1至6个碳原子的较低烷基、卤素、羟基或含有1至6个碳原子的较低烷氧基；Ar.sup.2为其中X为CO.sub.2 H、CN或其中R.sup.5为H、CH.sub.3、叔丁基、三正丁基锡基或三苯基甲基；及其药用盐，用于治疗高血压和充血性心力衰竭，制药组合物以及其生产方法。