tert-butyl 4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate | 271592-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate
• CAS: 271592-49-5
• 化学式: C₁₂H₁₇Cl₂N₅O₂
• 分子量: 334.205
• InChiKey: PFPRUIOBSVCFLN-UHFFFAOYSA-N

物化性质

• 沸点：
  491.9±55.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate 在 盐酸 、 水 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 96.0h， 生成 4-[4,6-Bis(2-propenylamino)-1,3,5-triazin-2-yl]-piperazine
  参考文献：
  名称：

  三嗪基多哌嗪类二硫代卡巴腙衍生物及其合成方法和应用

  摘要：

  本发明公开了一种三嗪基多哌嗪类二硫代卡巴腙衍生物，该三嗪基多哌嗪类二硫代卡巴腙衍生物采用如下方法合成：(1)1‑哌嗪‑Boc、三聚氯氰、‑R1和‑R2取代基发生取代反应，生成中间体c；(2)所述中间体c与盐酸发生水解反应，脱掉‑Boc基，得到中间体d；(3)所述中间体d与CS2发生硫代羧酸化反应，得到成品。本发明中提供的三嗪基多哌嗪类二硫代卡巴腙衍生物通过哌嗪基团的半刚性六元环状骨架可以通过推‑拉电子效应提高相应硫代卡巴腙化合物的化学稳定性，其具有独特的钳形结构，能和过渡金属离子形成配位作用强、理化性质稳定的超分子配合物。本发明还提供了三嗪基多哌嗪类二硫代卡巴腙衍生物的应用。

  公开号：

  CN110204504A
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 碳酸氢钠 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 24.0h， 生成 tert-butyl 4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Loewik, Dennis W. P. M.; Lowe, Christopher R., European Journal of Organic Chemistry, 2001, # 15, p. 2825 - 2840

  摘要：

  DOI：

文献信息

• Triazinone compound and T-type calcium channel inhibitor
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US09403798B2

  公开（公告）日：2016-08-02

  There is provided a novel triazinone compound that has an excellent T-type voltage-dependent calcium channel inhibitory activity and is specifically useful for treatment of pain. A compound of Formula (I), a tautomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof: where each substituent is defined in detail in the description or claims, for example R1 is H or C1-6 alkoxy, etc., each of L1 and L2 is independently a single bond or NR2, etc., L3 is C1-6 alkylene, etc., A is C6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc., B is C3-11 cycloalkylene, etc., D is C6-14 aryl or 5 to 10-membered heteroaryl which is optionally substituted, etc.

  提供了一种新型的三嗪酮化合物，该化合物具有优良的T型电压依赖性钙通道抑制活性，特别适用于治疗疼痛。公式(I)的化合物、该化合物的tautomer、药用可接受的盐或溶剂: 其中，每个取代基在说明或权利要求中有详细定义，例如，R1是H或C1-6烷氧基等，L1和L2各自独立为单键或NR2等，L3为C1-6亚烷基等，A为C6-14芳基或5至10元杂芳基，该芳基可被选配地取代等，B为C3-11环烷基等，D为C6-14芳基或5至10元杂芳基，该芳基可被选配地取代等。
• [EN] DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES<br/>[FR] DIFLUOROMÉTHYL-AMINOPYRIDINES ET DIFLUOROMÉTHYL-AMINOPYRIMIDINES
  申请人：PIQUR THERAPEUTICS AG

  公开号：WO2016075130A1

  公开（公告）日：2016-05-19

  The invention relates to novel phosphoinositide 3-kinase (PI3K),mammalian target of rapamycin (mTOR)and PI3K-related kinase(PIKKs)inhibitor compounds of formula (I), wherein X1, X2 and X3 are N or CH, with the proviso that at least two of X1, X2 and X3 are N; Y is N or CH, These compounds are useful, either alone or in combination with further therapeutic agents, for treating disorders mediated by lipid kinases.

  这项发明涉及一种新型的磷脂酰肌醇3-激酶（PI3K）、哺乳动物雷帕霉素靶蛋白（mTOR）和PI3K相关激酶（PIKKs）抑制剂化合物，其化学式为（I），其中X1、X2和X3为N或CH，但至少其中两个为N；Y为N或CH。这些化合物可用于单独使用或与其他治疗药物联合使用，用于治疗由脂质激酶介导的疾病。
• [EN] TREATMENT OF NEUROLOGICAL DISORDERS<br/>[FR] TRAITEMENT DES TROUBLES NEUROLOGIQUES
  申请人：PIQUR THERAPEUTICS AG

  公开号：WO2017198346A1

  公开（公告）日：2017-11-23

  The present invention is relates to a compound of formula (I), wherein X1, X2 andX3 are, independently of each other, N or CH; with the proviso that at least two of X1X2andX3 areN; Y is N or CH; R1 and R2 are independently of each other (iii)a morpholinyl of formula (II) wherein the arrow denotes the bond in formula (I); and wherein R3 and R4 are independently of each other H, C1-C3alkyl optionally substituted with one or two OH, C1-C2fhioroalkyl, C1-C2alkoxy, C1-C2alkoxyC1-C3alkyl, CN, or C(0)0-C1- C2alkyl; or R3 and R4 form together a bivalent residue -R5R6- selected from Ci-C3alkylene optionally substituted with 1 to 4 F, -CH2-0-CH2-, -CH2-NH-CH2-, or any of the structures wherein the arrows denote the bonds in formula (II); or (iv) a saturated 6-membered heterocyclic ring Z selected from thiomorpholinyl and piperazinyl, optionally substituted by 1 to 3 R7; wherein R7 is independently at each occurrence Ci-C3alkyl optionally substituted with one or two OH, C1-C2fluoroalkyl, C1- C2alkoxyC1-C3alkyl, C3-C6cycloalkyl; or two R7 substituents form together a bivalent residue -R8R9- selected from C1-C3alkylene optionally substituted with 1 to 4 F, -CH2-0-CH2- or -O- CH2CH2-0-; with the proviso that at least one of R1 and R2 is a morpholinyl of formula II; and prodrugs, metabolites, tautomers, solvates and pharmaceutically acceptable salts thereof, for use in the prevention or treatment of a neurological disorder in a subject.

  本发明涉及一种具有式(I)的化合物，其中X1、X2和X3独立地为N或CH；但至少两个X1、X2和X3为N；Y为N或CH；R1和R2独立地为(III)式的吗啉基，其中箭头表示式(I)中的键；且R3和R4独立地为H、C1-C3烷基，可选择地取代一个或两个OH、C1-C2氟烷基、C1-C2烷氧基、C1-C2烷氧基C1-C3烷基、CN或C(0)0-C1-C2烷基；或者R3和R4一起形成一种双价残基-R5R6-，所述残基选自C1-C3烷基，可选择地取代1至4个F，-CH2-0-CH2-，-CH2-NH-CH2-，或箭头表示式(II)中的键的任何结构；或者(IV)选择自硫吗啉基和哌嗪基的饱和6元杂环环Z，可选择地取代1至3个R7；其中R7在每次出现时独立地为C1-C3烷基，可选择地取代一个或两个OH、C1-C2氟烷基、C1-C2烷氧基C1-C3烷基、C3-C6环烷基；或两个R7取代基一起形成一种双价残基-R8R9-，所述残基选自C1-C3烷基，可选择地取代1至4个F，-CH2-0-CH2-或-O-CH2CH2-0-；但至少R1和R2中的一个为式II的吗啉基；以及其前药、代谢物、互变异构体、溶剂化合物和药学上可接受的盐，用于预防或治疗受体内神经系统疾病。
• [EN] TREATMENT OF SKIN LESIONS<br/>[FR] TRAITEMENT DE LÉSIONS CUTANÉES
  申请人：PIQUR THERAPEUTICS AG

  公开号：WO2017198347A1

  公开（公告）日：2017-11-23

  The present invention is relates to a compound of formula (I), wherein X1, X2 and X3 are, independently of each other, N or CH; with the proviso that at least two of X1 X2 and X3 are N; Y is N or CH; W is H or F; with the proviso that when W is F, then X1, X2 and X3 are N; R1 and R2 are independently of each other (i) a morpholinyl of formula (II) wherein the arrow denotes the bond in formula (I); and wherein R3 and R4 are independently of each other H, C1-C3alkyl optionally substituted with one or two OH, C1-C2fluoroalkyl, C1-C2alkoxy, C1alkoxyC1-C3alkyl, CN, or C(O)O-C1-C2alkyl; or R3 and R4 form together a bivalent residue -R5R6- selected from C1-C3alkylene optionally substituted with 1 to 4 F, -CH2-O-CH2-, -CH2-NH-CH2-, or any of the structures wherein the arrows denote the bonds in formula (II); or (ii) a saturated 6-membered heterocyclic ring Z selected from thiomorpholinyl and piperazinyl, optionally substituted by 1 to 3 R7; wherein R7 is independently at each occurrence C1-C3alkyl optionally substituted with one or two OH, C1-C2fluoroalkyl, C1-C2alkoxyC1-C3alkyl, C3-C6cycloalkyl; or two R7 substituents form together a bivalent residue-R8R9- selected from Ci-C3alkylene optionally substituted with 1 to 4 F, -CH2-O-CH2- or -O-CH2CH2-O-; with the proviso that at least one of R1 and R2is a morpholinyl of formula II; and prodrugs, metabolites, tautomers, solvates and pharmaceutically acceptable salts thereof, for use in the prevention or treatment of a skin lesion in a subject.

  本发明涉及一种具有式(I)的化合物，其中X1、X2和X3分别独立地为N或CH；但至少两个X1、X2和X3为N；Y为N或CH；W为H或F；但当W为F时，X1、X2和X3为N；R1和R2独立地为(i)式(II)的吗啡啉基，其中箭头表示式(I)中的键；且R3和R4独立地为H、C1-C3烷基，可选地取代一个或两个OH、C1-C2氟烷基、C1-C2烷氧基、C1烷氧基C1-C3烷基、CN或C(O)O-C1-C2烷基；或R3和R4共同形成一种双价残基-R5R6-，选择自C1-C3烷基，可选地取代1至4个F，-CH2-O-CH2-，-CH2-NH-CH2-，或箭头表示式(II)中的键的任何结构；或(ii)选择自硫吗啡啉基和哌嗪基的饱和6元杂环环Z，可选地取代1至3个R7；其中R7在每次出现时独立地为C1-C3烷基，可选地取代一个或两个OH、C1-C2氟烷基、C1-C2烷氧基C1-C3烷基、C3-C6环烷基；或两个R7取代基共同形成一种双价残基-R8R9-，选择自C1-C3烷基，可选地取代1至4个F，-CH2-O-CH2-或-O-CH2CH2-O-；但至少R1和R2中的一个为式II的吗啡啉基；以及其前药、代谢物、互变异构体、溶剂化合物和药学上可接受的盐，用于预防或治疗受试者的皮肤病变。
• PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY
  申请人：Rewcastle Gordon William

  公开号：US20100249099A1

  公开（公告）日：2010-09-30

  Provided herein are pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides, e.g., compounds of Formulae IA, IB, and IC, and their pharmaceutical compositions, preparation, and use as agents or drugs for cancer therapy, either alone or in combination with radiation and/or other anticancer drugs.

  本文提供了嘧啶基和1,3,5-三嗪基苯并咪唑磺胺类化合物，例如，式IA、IB和IC的化合物，以及它们的药物组合物、制备方法，以及作为癌症治疗药物或药剂的用途，可以单独使用，也可以与放疗和/或其他抗癌药物联合使用。