5-氯-N-(环丙基甲基)-2-甲基-N-丙基-N'-(2,4,6-三氯苯基)嘧啶-4,6-二胺 | 184241-44-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-氯-N-(环丙基甲基)-2-甲基-N-丙基-N'-(2,4,6-三氯苯基)嘧啶-4,6-二胺
• 中文别名: 格达列西布
• 英文名称: 5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N'-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine
• 英文别名: NBI 27914；NBI-27914；5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
• CAS: 184241-44-9
• 化学式: C₁₈H₂₀Cl₄N₄
• 分子量: 434.196
• InChiKey: KNADXBVKFAUMCR-UHFFFAOYSA-N

物化性质

• 沸点：
  483.7±45.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)
• 溶解度：
  在DMSO中的溶解度为16 mg/mLat 60 °C

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  41
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 安全说明：
  S26
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338

反应信息

• 作为产物：
  描述：

  2,4,6-三氯苯胺 在 N-氯代丁二酰亚胺 、 sodium hydride 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 5-氯-N-(环丙基甲基)-2-甲基-N-丙基-N'-(2,4,6-三氯苯基)嘧啶-4,6-二胺
  参考文献：
  名称：

  设计和合成一系列非肽高亲和性人类促肾上腺皮质激素释放因子1受体拮抗剂。

  摘要：

  DOI：

  10.1021/jm960149e

文献信息

• Method for predicting a treatment response to a CRHR1 antagonist and/or a V1B antagonist in a patient with depressive and/or anxiety symptoms
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US10190168B2

  公开（公告）日：2019-01-29

  The present invention relates to a method for predicting a treatment response to a corticotropin releasing hormone receptor type 1 (CRHR1) antagonist and/or a vasopressin receptor 1B (V1B) antagonist in a patient with depressive and/or anxiety symptoms. The present invention furthermore relates to a V1B receptor antagonist and/or CRHR1 antagonist for use in the treatment of depressive symptoms and/or anxiety symptoms in a patient. Also, kits, diagnostic compositions, devices and microarrays allowing the determination of the presence or absence of at least one polymorphic variant in the AVPR1B gene in combination with the presence or absence of at least one polymorphic variant in the patient's genome excluding the AVPR1B gene in the nucleic acid sample are described.

  本发明涉及一种预测抑郁和/或焦虑症状患者对促肾上腺皮质激素释放激素受体1型（CRHR1）拮抗剂和/或血管加压素受体1B（V1B）拮抗剂的治疗反应的方法。本发明还涉及用于治疗患者抑郁症状和/或焦虑症状的V1B受体拮抗剂和/或CRHR1拮抗剂。此外，本发明还描述了试剂盒、诊断组合物、装置和微阵列，这些试剂盒、诊断组合物、装置和微阵列可结合核酸样本中患者基因组中排除 AVPR1B 基因的至少一种多态变体的存在与否来确定 AVPR1B 基因中至少一种多态变体的存在与否。
• GENETIC PREDICTORS OF A RESPONSE TO TREATMENT WITH CRHR1 ANTAGONISTS
  申请人：HMNC Value GmbH

  公开号：EP3277835B1

  公开（公告）日：2019-01-09
• CRHR1 ANTAGONISTS FOR USE IN THE TREATMENT OF PATIENTS HAVING CRH OVERACTIVITY
  申请人：HOLSBOERMASCHMEYER NEUROCHEMIE GMBH

  公开号：US20150094310A1

  公开（公告）日：2015-04-02

  The present invention relates to a corticotropin releasing hormone receptor type 1 (CRHR1) antagonist for use in the treatment of depressive symptoms and/or anxiety symptoms in a novel group of patients, i.e. patients having corticotropin releasing hormone (CRH) overactivity.
• GENETIC PREDICTORS OF RESPONSE TO TREATMENT WITH CRHR1 ANTAGONISTS
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US20150278438A1

  公开（公告）日：2015-10-01

  The invention relates inter alia to methods for predicting the response of patients with depressive symptoms and/or anxiety symptoms to treatment with a CRHR1 antagonist, and algorithms, kits, microarrays, probes and or/primers for use in such methods.
• METHOD FOR PREDICTING A TREATMENT RESPONSE TO A CRHR1 ANTAGONIST AND/OR A V1B ANTAGONIST IN A PATIENT WITH DEPRESSIVE AND/OR ANXIETY SYMPTOMS
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US20160153043A1

  公开（公告）日：2016-06-02

  The present invention relates to a method for predicting a treatment response to a corticotropin releasing hormone receptor type 1 (CRHR1) antagonist and/or a vasopressin receptor 1B (V 1B ) antagonist in a patient with depressive and/or anxiety symptoms. The present invention furthermore relates to a V 1B receptor antagonist and/or CRHR1 antagonist for use in the treatment of depressive symptoms and/or anxiety symptoms in a patient. Also, kits, diagnostic compositions, devices and microarrays allowing the determination of the presence or absence of at least one polymorphic variant in the AVPR1B gene in combination with the presence or absence of at least one polymorphic variant in the patient's genome excluding the AVPR1B gene in the nucleic acid sample are described.