4-(4,6-二氯-5-(2-氯乙基)嘧啶-2-基)吗啉 | 1007206-27-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(4,6-二氯-5-(2-氯乙基)嘧啶-2-基)吗啉
• 英文名称: 4-(4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl)morpholine
• 英文别名: 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine
• CAS: 1007206-27-0
• 化学式: C₁₀H₁₂Cl₃N₃O
• 分子量: 296.584
• InChiKey: PUTVNEMQQZJURT-UHFFFAOYSA-N

物化性质

• 沸点：
  457.6±55.0 °C(Predicted)
• 密度：
  1.430±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 储存条件：
  存储条件：密封、干燥、避光，温度范围为2-8°C。

反应信息

• 作为反应物：
  描述：

  4-(4,6-二氯-5-(2-氯乙基)嘧啶-2-基)吗啉 在 2-双环己基膦-2',6'-二甲氧基联苯 、 吡啶 、 4-二甲氨基吡啶 、 potassium phosphate 、 硫酸 、 水 、 palladium diacetate 、 caesium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 、 sodium iodide 、 sodium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 56.75h， 生成 N,N-bis[(4-methoxyphenyl)methyl]-5-(2-morpholino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
  参考文献：
  名称：

  Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability

  摘要：

  Phosphoinositide 3-kinase (PI3K) is activated in various human cancer cells and well known as a cancer therapy target. We previously reported a dihydropyrrolopyrimidine derivative as a highly potent PI3K inhibitor that has strong tumor growth inhibition in a xenograft model. In this report, we describe further optimization to improve its bioavailability. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.11.009
• 作为产物：
  描述：

  吗啉-4-羧酰胺 在 sodium 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 4-(4,6-二氯-5-(2-氯乙基)嘧啶-2-基)吗啉
  参考文献：
  名称：

  Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability

  摘要：

  Phosphoinositide 3-kinase (PI3K) is activated in various human cancer cells and well known as a cancer therapy target. We previously reported a dihydropyrrolopyrimidine derivative as a highly potent PI3K inhibitor that has strong tumor growth inhibition in a xenograft model. In this report, we describe further optimization to improve its bioavailability. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.11.009

文献信息

• [EN] BICYCLIC HETEROARENES AND METHODS OF THEIR USE<br/>[FR] HÉTÉROARÈNES BICYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：YUMANITY THERAPEUTICS INC

  公开号：WO2021247862A1

  公开（公告）日：2021-12-09

  Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.

  揭示了在治疗神经系统疾病中有用的化合物。本文描述的这些化合物，单独或与其他药用活性剂结合使用，可用于治疗或预防神经系统疾病。
• PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF
  申请人：Shimma Nobuo

  公开号：US20100069629A1

  公开（公告）日：2010-03-18

  A drug is provided that is useful as a preventive or therapeutic for cancer as a result of having superior PI3K inhibitory effects as well as superior stability in the body and water-solubility. A compound, or pharmaceutically acceptable salt thereof, represented by formula (I): [wherein, X represents a single bond, etc.; Y represents a single bond, etc. (provided that X and Y are not simultaneously single bonds); Z represents a hydrogen atom, etc.; m represents an integer of 1 or 2; and R 1 represents a cyclic substituent].

  提供了一种药物，由于具有优越的PI3K抑制作用以及在体内具有优越的稳定性和水溶性，因此可用作预防或治疗癌症。化合物或其药学上可接受的盐的表示式（I）：[其中，X表示单键等；Y表示单键等（前提是X和Y不同时为单键）；Z表示氢原子等；m表示1或2的整数；R1表示环状取代基]。
• Pyrimidine derivatives as PI3K inhibitor and use thereof
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US08022205B2

  公开（公告）日：2011-09-20

  A drug is provided that is useful as a preventive or therapeutic for cancer as a result of having superior PI3K inhibitory effects as well as superior stability in the body and water-solubility. A compound, or pharmaceutically acceptable salt thereof, represented by formula (I): [wherein, X represents a single bond, etc.; Y represents a single bond, etc. (provided that X and Y are not simultaneously single bonds); Z represents a hydrogen atom, etc.; m represents an integer of 1 or 2; and R1 represents a cyclic substituent].

  提供一种药物，由于具有卓越的PI3K抑制作用以及在体内具有卓越的稳定性和水溶性，因此可用作预防或治疗癌症。该化合物或其药学上可接受的盐的化学式为（I）：[其中，X表示单键等；Y表示单键等（前提是X和Y不同时为单键）；Z表示氢原子等；m表示1或2的整数；R1表示环状取代基]。
• PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF
  申请人：Ebiike Hirosato

  公开号：US20100324284A1

  公开（公告）日：2010-12-23

  A preventive or therapeutic agent of a proliferative disease such as cancer, having superior PI3K inhibitory effects, superior cell proliferation inhibitory action as well as superior stability in a body and water solubility, is provided. A compound represented by formula (I): [wherein, Q represents a linking group represented by —X—Y—; X represents a single bond —CO—, —CONH—, —CON(C 1-4 alkyl)-, —CS—, —CSNH—, —CSN(C 1-4 alkyl)-, or —SO 2 —; Y represents a single bond, arylene or heteroarylene; provided that X and Y are not simultaneously single bonds; and R 1 represents —C 0-6 alkylene-(A) m -C 1-6 alkyl, or C 0-6 alkylene-(A) m -C 0-6 alkylene-(heterocycle)] or a pharmaceutically acceptable salt thereof.

  提供了一种预防或治疗增殖性疾病（如癌症）的药物，具有优越的PI3K抑制作用、优越的细胞增殖抑制作用以及在体内具有优越的稳定性和水溶性。该化合物的式子为（I）：[其中，Q表示由—X—Y—表示的连接基；X表示单键—CO—、—CONH—、—CON（C1-4烷基）-、—CS—、—CSNH—、—CSN（C1-4烷基）-或—SO2—；Y表示单键、芳基或杂芳基；但X和Y不能同时为单键；R1表示—C0-6烷基-(A)m-C1-6烷基，或C0-6烷基-(A)m-C0-6烷基-(杂环)]或其药学上可接受的盐。
• [EN] NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF<br/>[FR] NOUVEAU COMPOSÉ HÉTÉROARYLE BICYCLIQUE ET SON UTILISATION<br/>[KO] 신규 바이사이클릭 헤테로아릴 화합물 및 이의 용도
  申请人：ILDONG PHARMACEUTICAL CO LTD

  公开号：WO2024014885A1

  公开（公告）日：2024-01-18

  본 발명은 하기 화학식 1로 표시되는 화합물, 이의 광학 이성질체, 또는 이의 약학적으로 허용가능한 염을 제공한다. 본 발명은 신규 화합물로써 PIKfyve 억제에 대한 우수한 활성을 가지고 있어 PIKfyve 활성 관련 암 질환, 염증성 질환 또는 리소좀 축적 질환에 대한 치료제로서 유용하다.

  本发明提供了下式 1 所代表的化合物、其光学异构体或其药学上可接受的盐类。作为新型化合物，它们具有优异的抑制 PIKfyve 的活性，因此可用作与 PIKfyve 活性相关的癌症疾病、炎症疾病或溶酶体蓄积疾病的治疗剂。