(1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)carbamic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: (1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)carbamic acid tert-butyl ester
• 英文别名: (1-Thieno[2,3-d]pyrimidin-4-yl-piperidin-4-yl)carbamic Acid Tert-Butyl Ester；tert-butyl N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)carbamate
• 化学式: C₁₆H₂₂N₄O₂S
• 分子量: 334.442
• InChiKey: AWIATQYAJWZNMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)carbamic acid tert-butyl ester 在 盐酸 、 氨 作用下， 以 乙醚 、 甲醇 为溶剂， 反应 24.0h， 以100%的产率得到1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
  参考文献：
  名称：

  WO2007/125320

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯噻吩并[3,2-d]嘧啶 、 4-叔丁氧羰基氨基哌啶 在 三乙胺 作用下， 以 正丁醇 为溶剂， 反应 48.0h， 以100%的产率得到(1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/125320

  摘要：

  公开号：

文献信息

• Substituted aminopyrimidine compounds as neurokinin antagonists
  申请人：——

  公开号：US20040138238A1

  公开（公告）日：2004-07-15

  The invention discloses tachykinin receptor antagonists. The tachykinin family of receptors comprising the neurokinins substance P (SP), neurokinin A, and neurokinin B and related neuropeptides that are widely distributed in the peripheral and central nervous system. The invention discloses novel aminopyrimidine derivatives, synthesis and uses thereof for the treatment of diseases mediated directly or indirectly by the tachykinin receptors. These diseases include central nervous system disorders such as anxiety, pain, depression, emesis, in particular cancer chemotherapy induced emesis, respiratory and inflammatory bowel disease and other gastric disorders, asthma, schizophrenia, ophthalmic diseases such as glaucoma, ocular hypotension, neural injury, stroke, cardiac disorders, psoriasis, and migraine. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also included.

  本发明揭示了缓激肽受体拮抗剂。缓激肽受体家族包括神经激肽物质P（SP）、神经激肽A和神经激肽B以及相关的神经肽，这些肽在周围和中枢神经系统中广泛分布。本发明揭示了新型氨基嘧啶衍生物，其合成和用于治疗直接或间接由缓激肽受体介导的疾病的用途。这些疾病包括中枢神经系统疾病，如焦虑、疼痛、抑郁、呕吐，特别是化疗引起的呕吐、呼吸和炎症性肠病和其他胃肠疾病、哮喘、精神分裂症、眼科疾病，如青光眼、眼压降低、神经损伤、中风、心脏疾病、牛皮癣和偏头痛。本发明还包括制备方法、新型中间体和药物盐。
• PHARMACEUTICAL COMPOUNDS
  申请人：Saxty Gordon

  公开号：US20090124610A1

  公开（公告）日：2009-05-14

  Compounds of the formula (I), and salts, solvates, tautomers and N-oxide thereof, wherein TG is selected from groups (1) and (2): wherein the asterisk (*) represents the point of attachment of the group E to the group X; R 1a is an optionally substituted aryl or heteroaryl group; R 1b is hydrogen or a group R1a; X is an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 are heteroatoms selected from O, N and S; and A, E, R 2 , R 3 , R 4 , Q 1 and Q 2 are as defined in the claims; provided that when E is aryl or heteroaryl, then Q 2 is other than a bond; and further provided that the moiety (a) is other than a group (BG1) or (BG2); wherein (BG1) and (BG2) are each optionally substituted; T is N or CR Z ; J 1 -J 2 is selected from N═C(R Z ), (R Z )C═N, (R Z )N—C(O), (R Z ) 2 C—C(O), N═N and (R Z )C═C(R 6 ); J 4 -J 3 is a group N═C(R Z ) or a group (R Z )N—CO; and R Z is hydrogen or a substituent. The compounds of the formula (I) have PKA and PKB kinase inhibiting activity and are useful in the treatment of cancers.

  公式（I）的化合物及其盐、溶剂化物、互变异构体和N-氧化物，其中TG从（1）和（2）组中选择：其中星号（*）表示E基团连接到X基团的连接点；R1a是可选取代的芳基或杂环芳基基团；R1b是氢或R1a基团；X是具有8至12个环成员的可选取代的双环杂环基团，其中最多5个是O、N和S的杂原子；A、E、R2、R3、R4、Q1和Q2如权利要求所定义；但是当E是芳基或杂环芳基时，Q2不是键；并且进一步提供，所述基团（a）不是（BG1）或（BG2）基团；其中（BG1）和（BG2）均为可选取代基团；T为N或CRZ；J1-J2选自N═C（RZ）、（RZ）C═N、（RZ）N—C（O）、（RZ）2C—C（O）、N═N和（RZ）C═C（R6）；J4-J3是N═C（RZ）基团或（RZ）N—CO基团；RZ是氢或取代基团。公式（I）的化合物具有PKA和PKB激酶抑制活性，并且在治疗癌症方面有用。
• 含氮杂环结构的吡咯并[2,3-d]嘧啶类化合物及制备方法与应用
  申请人：贵州大学

  公开号：CN118146226A

  公开（公告）日：2024-06-07

  本发明涉及药物化学技术领域，具体涉及含氮杂环结构的吡咯并[2,3‑d]嘧啶类化合物及制备方法与应用。具体技术方案为：该化合物是以吡咯并[2,3‑d]嘧啶结构为先导化合物，引入含氮杂环片段，合成含氮杂环结构的吡咯并[2,3‑d]嘧啶类化合物。该类化合物对植物病原细菌如水稻白叶枯病菌、柑橘溃疡病菌、猕猴桃溃疡病菌、烟草青枯病菌，对真菌性病害如葡萄座腔菌、尖孢镰刀菌、茄病柱盘孢菌、胶孢炭疽菌、茶树炭疽菌、高粱刺盘孢菌、烟草赤星病菌、茄子黄萎病菌、辣椒枯萎病菌、烟草枯萎病菌和烟草镰刀根腐病菌具有优异的抑制效果，为新农药的研发和创制提供重要的科学基础。
• [EN] SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS<br/>[FR] AMINOPYRIMIDINES SUBSTITUEES UTILISEES EN TANT QU'AGONISTES DE LA NEUROKININE
  申请人：PREDIX PHARMACEUTICALS HOLDING

  公开号：WO2004014850A2

  公开（公告）日：2004-02-19

  The invention discloses tachykinin receptor antagonists. The tachykinin family of receptors comprising the neurokinins substance P (SP), neurokinin A, and neurokinin B and related neuropeptides that are widely distributed in the peripheral and central nervous system. The invention discloses novel aminopyrimidine derivatives, synthesis and uses thereof for the treatment of diseases mediated directly or indirectly by the tachykinin receptors. These diseases include central nervous system disorders such as anxiety, pain, depression, emesis, in particular cancer chemotherapy induced emesis, respiratory and inflammatory bowel disease and other gastric disorders, asthma, schizophrenia, ophthalmic diseases such as glaucoma, ocular hypotension, neural injury, stroke, cardiac disorders, psoriasis, and migraine. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also included.
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSÉS PHARMACEUTIQUES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2007125320A1

  公开（公告）日：2007-11-08

  [EN] Compounds of the formula (I), and salts, solvates, tautomers and N-oxide thereof; wherein TG is selected from groups (1) and (2): wherein the asterisk (*) represents the point of attachment of the group E to the group X; R^la is an optionally substituted aryl or heteroaryl group; R^lb is hydrogen or a group Rla; X is an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 are heteroatoms selected from O, N and S; and A, E, R², R³, R⁴, Q¹ and Q² are as defined in the claims; provided that when E is aryl or heteroaryl, then Q² is other than a bond; and further provided that the moiety (a) is other than a group (BG1) or (BG2); wherein (BGl) and (BG2) are each optionally substituted; T is N or CR^Z; J¹-J² is selected from N=C(R^Z), (R^Z)C=N, (R^Z)N-C(O), (R^Z)₂C-C(O), N=N and (R^Z)C=C(R⁶); J^{4 -}J³ is a group N=C(R^Z) or a group (R^Z)N-CO; and R^Z is hydrogen or a substituent. The compounds of the formula (I) have PKA and PKB kinase inhibiting activity and are useful in the treatment of cancers.
  [FR] Composés de la formule (I), et sels, solvates, tautomères et N oxyde de ceux-ci; formule dans laquelle TG est sélectionné dans les groupes (1) et (2), dans lesquels l'astérisque (*) représente le point de fixation du groupe E au groupe X; R^la est un groupe aryle ou hétéroaryle facultativement substitué; R^lb est un hydrogène ou un groupe Rla; X est un groupe hétérocyclique bicyclique facultativement substitué ayant 8 à 12 anneaux dont jusqu'à 5 sont des hétéroatomes sélectionnés parmi O, N et S; et A, E, R², R³, R⁴, Q¹ et Q² sont conformes à la définition donnée dans les revendications; à condition que lorsque E est aryle ou hétéroaryle, alors Q² est autre qu'une liaison; et, en outre, à condition que le groupe caractéristique est autre qu'un groupe (BG1) ou (BG2); dans lequel (BGl) et (BG2) sont chacun facultativement substitués; T est N ou CR^Z ; J¹-J² est sélectionné dans N=C(R^Z), (R^Z)C=N, (R^Z)N-C(O), (R^Z)₂C-C(O), N=N et (R^Z)C=C(R⁶); J^{4 -}J³ est un groupe N=C(R^Z) ou un groupe (R^Z)N-CO; et R^Z est l'hydrogène ou un substituant. Les composés de la formule (I) ont une activité d'inhibition kinase PKA et PKB et sont utiles dans le traitement des cancers.