2-Chloro-4-morpholin-4-ylbenzoyl chloride | 896723-26-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-Chloro-4-morpholin-4-ylbenzoyl chloride
• CAS: 896723-26-5
• 化学式: C₁₁H₁₁Cl₂NO₂
• 分子量: 260.12
• InChiKey: OWBDIIWWUOJCNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,4,5-四氢-1H-苯并[b]氮杂卓 、 2-Chloro-4-morpholin-4-ylbenzoyl chloride 生成 (2-Chloro-4-morpholin-4-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
  参考文献：
  名称：

  Benzoheterocyclic derivatives

  摘要：

  以下是该句子的中文翻译： 一种苯并杂环衍生物，其化学式如下： 及其药用盐，表现出优异的抗加压素活性、加压素激动活性和催产素拮抗活性，可用作加压素拮抗剂、加压素激动剂或催产素拮抗剂。

  公开号：

  US06335327B1
• 作为产物：
  描述：

  2-氯-4-(4-吗啉)苯甲酸甲酯 在 N-甲基吡咯烷酮 、 sodium hydroxide 、 氯化亚砜 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 2-Chloro-4-morpholin-4-ylbenzoyl chloride
  参考文献：
  名称：

  Novel Design of Nonpeptide AVP V₂ Receptor Agonists:  Structural Requirements for an Agonist Having 1-(4-Aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine as a Template

  摘要：

  The discovery of a series of nonpeptide arginine vasopressin V-2 receptor agonists is described. After identifying the aniline derivative 8 as our lead compound from the metabolites of compound 7 that showed antidiuretic activity by po administration to Brattleboro rats, improvements in the in vitro potency involving evaluations of the structural requirements for agonist action and optimizing the structure of the benzoyl moiety have been intensively undertaken. These studies led to compounds leg, 19a, and 23b,h,i that show patent; agonist activity for the V-2 receptor.

  DOI：

  10.1021/jm000108p

文献信息

• Benzoheterocyclic derivatives
  申请人：Otsuka Pharmaceuticals Co., Ltd.

  公开号：US06335327B1

  公开（公告）日：2002-01-01

  A benzoheterocyclic derivative of the following formula [1]: and pharmaceutically acceptable salts thereof, which show excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as a vasopressin antagonist, vasopressin agonist or oxytocin antagonist.

  以下是该句子的中文翻译： 一种苯并杂环衍生物，其化学式如下： 及其药用盐，表现出优异的抗加压素活性、加压素激动活性和催产素拮抗活性，可用作加压素拮抗剂、加压素激动剂或催产素拮抗剂。
• Urea derivative, medicinal composition containing the same, and medicinal use of these
  申请人：Suzuki Ritsu

  公开号：US20080161294A1

  公开（公告）日：2008-07-03

  Urea derivatives represented by the following general formula (I): which have an agonism of V2 receptor, are useful as agents for the treatment or prevention of diabetes insipidus, nocturia, nocturnal enuresis, overactive bladder or the like. In the formula, R 1 represents a hydrogen atom or a C 1-6 alkyl group which may have a substituent, R 2 is a hydrogen atom or a C 1-6 alkyl group, R 3 is a hydrogen atom, a C 1-6 alkyl group or the like, R 4 , R 5 and R 6 are independently a hydrogen atom, a halogen atom or the like, R 7 is a hydrogen atom, a heteroaryl group which may have a substituent, a C 3-8 cycloalkyl group, an amino group which may have a substituent or a C 1-6 alkoxy group which may have a substituted group, M 1 is a single bond, a C 1-4 alkylene group or the like, Y is N or CR F (in the formula, and R F represents a hydrogen atom, a C 1-6 alkyl group or the like, or pharmaceutically acceptable salts thereof, or prodrugs thereof, or pharmaceutical compositions comprising the same and pharmaceutical uses thereof.

  以下通式（I）所表示的尿素衍生物具有V2受体激动剂作用，可用于治疗或预防尿崩症、夜尿症、夜间遗尿、过度活动膀胱等疾病。在该通式中，R1表示氢原子或C1-6烷基，可以有取代基；R2表示氢原子或C1-6烷基；R3表示氢原子、C1-6烷基或类似物；R4、R5和R6独立地表示氢原子、卤素原子或类似物；R7表示氢原子、可以有取代基的杂环芳基、C3-8环烷基、可以有取代基的氨基或可以有取代基的C1-6烷氧基；M1表示单键、C1-4烷基等；Y表示N或CRF（在该式中，RF表示氢原子、C1-6烷基或类似物）；以及其药学上可接受的盐、前药或包含它们的制剂，以及其医药用途。
• Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases
  申请人：Berdini Valerio

  公开号：US20080312223A1

  公开（公告）日：2008-12-18

  The invention provides a compound of the formula (I): or a salt, N-oxide, tautomer or solvate thereof, wherein X is CR 5 or N; each of Q 1 and Q 2 is a carbon atom; Q 3 is selected from S and CH; Q 4 is selected from CR 2 and S; provided that one of Q 3 and Q 4 is S and the other of Q 3 and Q 4 is not S; wherein when Q 3 is S, there is a double bond between Q 1 and Q 4 and a double bond between Q 2 and the adjacent ring nitrogen atom N; and when Q 4 is S, there is a double bond between Q 1 and Q 2 , and a double bond between Q 3 and the adjacent ring nitrogen atom N; A is a bond or —(CH 2 ) m —(B) n —; B is C═O, NR 8 (C═O) or O(C═O) wherein R 1 is hydrogen or C1_4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; m is 0, 1 or 2; n is 0 or 1; R o is hydrogen or, together with NR g when present, forms a group —(CH 2 ) p — wherein p is 2 to 4; R 1 is hydrogen, a carbocyclic or heterocyclic group having from 3 to 12 ring members, or an optionally substituted C 1-8 hydrocarbyl group; R 2 is hydrogen, halogen, methoxy, or a C 1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or methoxy; R 3 and R 4 together with the carbon atoms to which they are attached form an optionally substituted fused carbocyclic or heterocyclic ring having from 5 to 7 ring members of which up to 3 can be heteroatoms selected from N, O and S; and R 5 is hydrogen, a group R 2 or a group R 10 wherein R 10 is as defined in the claims. The compounds have activity as inhibitors of cyclin dependent kinases, glycogen synthase kinases and Aurora kinases.

  本发明提供一种化合物，其化学式为（I）或其盐，N-氧化物，互变异构体或溶剂化物，其中X为CR5或N; Q1和Q2中的每一个都是碳原子; Q3从S和CH中选择; Q4从CR2和S中选择; 假设Q3和Q4中的一个是S，而另一个不是S; 当Q3为S时，Q1和Q4之间有一个双键，Q2和相邻的环氮原子N之间有一个双键; 当Q4为S时，Q1和Q2之间有一个双键，并且Q3和相邻的环氮原子N之间有一个双键; A是键或-(CH2)m-(B)n-; B为C═O，NR8（C═O）或O（C═O），其中R1为氢或C1_4烃基，可选择地被羟基或C1-4烷氧基取代; m为0、1或2; n为0或1; Ro为氢或与NRg一起形成一个群体-(CH2)p-，其中p为2至4; R1为氢，具有3至12个环成员的碳环或杂环基，或可选择地被取代的C1-8烃基基团; R2为氢、卤素、甲氧基或可选择地被卤素、羟基或甲氧基取代的C1-4烃基基团; R3和R4与它们所连接的碳原子一起形成一个可选择地取代的融合碳环或杂环环，其具有5至7个环成员，其中最多可有3个异原子，选择自N、O和S; R5为氢、R2基团或R10基团，其中R10如权利要求所定义。该化合物具有作为细胞周期依赖性激酶、糖原合成酶激酶和极化子激酶的抑制剂的活性。
• THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES
  申请人：Astex Therapeutics Limited

  公开号：EP1836199A1

  公开（公告）日：2007-09-26
• [EN] THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES<br/>[FR] DERIVES DE THIAZOLE ET ISOTHIAZOLE MODULANT L'ACTIVITE DES KINASES CDK, GSK ET AURORA
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2006070192A1

  公开（公告）日：2006-07-06

  [EN] The invention provides a compound of the formula (I): or a salt, N-oxide, tautomer or solvate thereof, wherein X is CR⁵ or N; each of Q¹ and Q² is a carbon atom; Q³ is selected from S and CH; Q⁴ is selected from CR² and S; provided that one of Q³ and Q⁴ is S and the other of Q³ and Q⁴ is not S; wherein when Q³ is S, there is a double bond between Q¹ and Q⁴ and a double bond between Q² and the adjacent ring nitrogen atom N; and when Q⁴ is S, there is a double bond between Q¹ and Q², and a double bond between Q³ and the adjacent ring nitrogen atom N; A is a bond or -(CH₂)_m-(B)_n-; B is C=O, NR^g(C=O) or O(C=O) wherein R¹ is hydrogen or C1_4 hydrocarbyl optionally substituted by hydroxy or C_1-4 alkoxy; m is 0, 1 or 2; n is 0 or 1; R^° is hydrogen or, together with NR^g when present, forms a group -(CH₂)_p- wherein p is 2 to 4; R¹ is hydrogen, a carbocyclic or heterocyclic group having from 3 to 12 ring members, or an optionally substituted C_1-8hydrocarbyl group; R² is hydrogen, halogen, methoxy, or a C_1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or methoxy; R³ and R⁴ together with the carbon atoms to which they are attached form an optionally substituted fused carbocyclic or heterocyclic ring having from 5 to 7 ring members of which up to 3 can be heteroatoms selected from N, 0 and S; and R⁵ is hydrogen, a group R² or a group R¹⁰ wherein R¹⁰ is as defined in the claims.The compounds have activity as inhibitors of cyclin dependent kinases, glycogen synthase kinases and Aurora kinases.
  [FR] L'invention concerne un composé de formule (I) : ou l'un de ses sels, N-oxydes, tautomères ou solvates, dans lequel X est CR⁵ ou N ; Q¹ et Q² sont tous deux un atome de carbone ; Q³ est choisi parmi S et CH et Q⁴ est choisi parmi CR² et S, à condition que Q³ ou bien Q⁴ soit S et que l'autre ne soit pas S ; lorsque Q³ est S, il existe une double liaison entre Q¹ et Q⁴ et une double liaison entre Q² et l'atome d'azote N du cycle adjacent ; et lorsque Q⁴ est S, il existe une double liaison entre Q¹ et Q², et une double liaison entre Q³ et l'atome d'azote N du cycle adjacent ; A est une liaison ou bien -(CH₂)_m-(B)_n- ; B est C=O, NR^g(C=O) ou O(C=O), dans lequel R¹ est un hydrogène ou un groupe hydrocarbyle en C₁ à C₄ éventuellement substitué par un hydroxy ou un alcoxy en C₁ à C₄ ; m vaut 0, 1 ou 2 ; n vaut 0 ou 1 ; R^° est l'hydrogène ou bien il forme, avec NR^g, lorsque ce radical est présent, un groupe -(CH₂)_p- dans lequel p vaut de 2 à 4 ; R¹ est un hydrogène, un groupe carbocyclique ou hétérocyclique ayant de 3 à 12 membres, ou un groupe hydrocarbyle éventuellement substitué en C₁ à C₈ ; R² es l'hydrogène, un halogène, un méthoxy ou un groupe hydrocarbyle en C₁ à C₄ éventuellement substitué par un halogène, un hydroxyle ou un méthoxy ; R³ et R⁴ forment ensemble, avec les atomes de carbone auxquels ils ont rattachés, un cycle carbocyclique ou hétérocyclique fusionné éventuellement substitué, ledit cycle comportant de 5 à 7 membres, dont 3 au plus peuvent être des hétéroatomes choisis parmi N, 0 et S ; enfin R⁵ est l'hydrogène, un groupe R² ou un groupe R¹⁰, R¹⁰ étant tel que défini dans les revendications. Les composés sont actifs en tant qu'inhibiteurs des kinases dépendant de la cycline, glycogène synthétase et Aurora.