3-氨基-6-氯-5-[(3S)-4-[1-[(4-氯苯基)甲基]-4-哌啶基]-3-乙基-1-哌嗪基]-2-哌嗪甲酰胺 | 906805-42-3

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-氨基-6-氯-5-[(3S)-4-[1-[(4-氯苯基)甲基]-4-哌啶基]-3-乙基-1-哌嗪基]-2-哌嗪甲酰胺
• 英文名称: (S)-3-Amino-6-chloro-5-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-carboxamide
• 英文别名: 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide
• CAS: 906805-42-3
• 化学式: C₂₃H₃₁Cl₂N₇O
• 分子量: 492.451
• InChiKey: UYDYJFWSPRQEAX-KRWDZBQOSA-N

物化性质

• 沸点：
  628.2±55.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO：4.5 mg/mL（9.14 mM；需要超声波）H2O：< 0.1 mg/mL（不溶）

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity
  申请人：Rosenblum B. Stuart

  公开号：US20070054919A1

  公开（公告）日：2007-03-08

  The present application discloses a compound, or enantiomers, stereoisomers, rotamers, tautomers, racemates or prodrug of said compound, or pharmaceutically acceptable salts, solvates or esters of said compound, or of said prodrug, said compound having the general structure shown in Formula 1: and the pharmaceutically acceptable salts, solvates and esters thereof. Also disclosed is a method of treating chemokine mediated diseases, such as, palliative therapy, curative therapy, prophylactic therapy of certain diseases and conditions such as inflammatory diseases (non-limiting example(s) include, psoriasis), autoimmune diseases (non-limiting example(s) include, rheumatoid arthritis, multiple sclerosis), graft rejection (non-limiting example(s) include, allograft rejection, xenograft rejection), infectious diseases (e.g, tuberculoid leprosy), fixed drug eruptions, cutaneous delayed-type hypersensitivity responses, ophthalmic inflammation, type I diabetes, viral meningitis and tumors using a compound of Formula 1.

  本申请公开了一种化合物，或者该化合物的对映体、立体异构体、转角异构体、互变异构体、外消旋体或前药，或该化合物的药物可接受的盐、溶剂化合物或酯，或该前药的药物可接受的盐、溶剂化合物或酯，该化合物具有如公式1所示的一般结构，以及其药物可接受的盐、溶剂化合物和酯。还公开了一种治疗趋化因子介导疾病的方法，例如，缓解疗法、治愈疗法、预防疗法，治疗某些疾病和病症，例如炎症性疾病（非限定性例子包括牛皮癣），自身免疫性疾病（非限定性例子包括风湿性关节炎、多发性硬化症），移植排斥（非限定性例子包括同种移植排斥、异种移植排斥），感染性疾病（例如结核性麻风），固定药物爆发，皮肤迟发型超敏反应，眼科炎症，I型糖尿病，病毒性脑膜炎和肿瘤，使用公式1的化合物进行治疗。
• Treatment and prevention of cardiovascular disease
  申请人：Edifice Health, Inc.

  公开号：US11359011B2

  公开（公告）日：2022-06-14

  The methods and compositions described herein improve cardiovascular outcomes using measures related to systemic chronic inflammation (the inflammatory age—iAge, the cardiovascular age—cAge, and levels of certain markers) to stratify patients into low risk and high risk groups. The personalized immune proteome signature creates an individualized initial therapy to reduce cAge and to convert high risk patients into low risk patients. High risk patients can be converted to low risk patients by treating the patients to reduce their cAge, iAge and/or improve their CRS.

  本文所述的方法和组合物利用与全身慢性炎症有关的指标（炎症年龄-iAge、心血管年龄-cAge 和某些标志物的水平）将患者分为低风险组和高风险组，从而改善心血管预后。个性化的免疫蛋白质组特征可创建个性化的初始疗法，以降低年龄，并将高风险患者转化为低风险患者。通过治疗降低患者的 cAge、iAge 和/或改善其 CRS，可将高风险患者转化为低风险患者。
• Treatment and Prevention of Cardiovascular Disease
  申请人：Edifice Health, Inc.

  公开号：US20210040195A1

  公开（公告）日：2021-02-11

  The methods and compositions described herein improve cardiovascular outcomes using measures related to systemic chronic inflammation (the inflammatory age—iAge, the cardiovascular age—cAge, and levels of certain markers) to stratify patients into low risk and high risk groups. The personalized immune proteome signature creates an individualized initial therapy to reduce cAge and to convert high risk patients into low risk patients. High risk patients can be converted to low risk patients by treating the patients to reduce their cAge, iAge and/or improve their CRS.
• US7868005B2
  申请人：——

  公开号：US7868005B2

  公开（公告）日：2011-01-11