4-(((6S,9S)-1-(benzylcarbamoyl)-9-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidin-6-yl)methyl)phenyl palmitate | 1394313-23-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 4-(((6S,9S)-1-(benzylcarbamoyl)-9-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidin-6-yl)methyl)phenyl palmitate
• 英文别名: [4-[[(6S,9S)-1-(benzylcarbamoyl)-9-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-yl]methyl]phenyl] hexadecanoate
• CAS: 1394313-23-5
• 化学式: C₅₀H₆₄N₄O₅
• 分子量: 801.082
• InChiKey: NUEAXYAEMGWDBA-XGNZHSDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  59
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  99.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (6S,9S)-N-benzyl-6-(4-hydroxybenzyl)-9-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidine-1-carboxamide 、 棕榈酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到4-(((6S,9S)-1-(benzylcarbamoyl)-9-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidin-6-yl)methyl)phenyl palmitate
  参考文献：
  名称：

  CBP/CATENIN ANTAGONISTS FOR ENHANCING ASYMMETRIC DIVISION OF SOMATIC STEM CELLS

  摘要：

  提供的是：用于治疗衰老或与年龄相关的病症、症状或疾病的组合物和方法；刺激头发生长、再生或色素沉着（或预防脱发）；增加皮肤细胞中腺苷酸受体的表达（与头发生长相结合）；用于治疗皮肤病或其中至少一种症状的条件或疾病，包括美容治疗（例如皱纹、色素沉着、发红、酒渣鼻、干燥、龟裂、松弛、弹性下降、变薄和失去活力）。该方法包括给予足够量的揭示的CBP/β-连环素（例如CBP/B-连环素）拮抗剂组合物，特别是在足够的量和方式下给予，以提高与相关体细胞干细胞群体对称分裂相对或代价的非对称更新分裂数量。在特定方面，CBP/β-连环素（例如CBP/B-连环素）拮抗剂包括其烷基和/或脂肪酸酯衍生物，如本文所述。

  公开号：

  US20150232468A1

文献信息

• ALPHA HELIX MIMETICS AND METHODS RELATING THERETO
  申请人：Kouji Hiroyuki

  公开号：US20140051706A1

  公开（公告）日：2014-02-20

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a compound relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本文揭示了一种以公式（I）表示的α-螺旋类似结构和化合物，其中一般公式和每个符号的定义如规范中所定义，以及与之相关的化合物和方法。本文还揭示了这些化合物在治疗医学疾病，例如癌症、纤维化疾病以及包含类似物的制药组合物的应用。
• Substituted pyrazino[1,2-a]pyrimidines useful as CBP/catenin antagonists for enhancing asymmetric division of somatic stem cells
  申请人：Kahn Michael

  公开号：US09371330B2

  公开（公告）日：2016-06-21

  Provided are: composition and methods for: treating aging or an age-related condition, symptom or disease; stimulating hair growth, regrowth or pigmentation (or preventing hair loss); for increasing adenosine receptor expression in dermal cells (in combination with hair growth); for treating a condition or disease of the skin or at least one symptom thereof, including cosmetic treatment (e.g., wrinkles, hyperpigmentation, redness, rosacea, dryness, cracking, loss of firmness, loss of elasticity, thinning, and loss of vibrancy). The methods comprise administering a sufficient amount of the disclosed CBP/catenin (e.g., CBP/(β-catenin) antagonist compositions, and particularly wherein administration is in an amount and manner sufficient to provide for increasing the number of asymmetric renewing divisions relative to, or at the expense of symmetric divisions in relevant somatic stem cell population. In particular aspects, the CBP/catenin (e.g., CBP/(β-catenin) antagonist comprises an alkyl and/or fatty acid ester derivative of formula (I) as disclosed herein

  提供了以下内容：用于治疗衰老或与年龄相关的症状或疾病的组合物和方法；刺激头发生长、再生或色素沉着（或预防脱发）；用于增加皮肤细胞中腺苷酸受体表达的方法（与头发生长结合）；用于治疗皮肤疾病或至少一种症状的方法，包括美容治疗（例如皱纹、色素沉着、发红、酒渣鼻、干燥、开裂、松弛、弹性减少、变薄和失去光泽）。该方法包括给予足够量的CBP/β-连环素（例如CBP/（β-连环素）拮抗剂组合物），特别是在足够的剂量和方式下，以增加非对称更新分裂相对于或牺牲对称分裂在相关体细胞干细胞群体中的数量。在特定方面，CBP/β-连环素（例如CBP/（β-连环素）拮抗剂）包括如本文所述的公式（I）的烷基和/或脂肪酸酯衍生物。
• US9371330B2
  申请人：——

  公开号：US9371330B2

  公开（公告）日：2016-06-21
• [EN] CBP/CATENIN ANTAGONISTS FOR ENHANCING ASYMMETRIC DIVISION OF SOMATIC STEM CELLS<br/>[FR] ANTAGONISTES DU SYSTÈME CBP/CATÉNINE FAVORISANT LA DIVISION ASYMÉTRIQUE DE CELLULES SOUCHES SOMATIQUES
  申请人：UNIV SOUTHERN CALIFORNIA

  公开号：WO2013052162A1

  公开（公告）日：2013-04-11

  Provided are: composition and methods for: treating aging or an age-related condition, symptom or disease; stimulating hair growth, regrowth or pigmentation (or preventing hair loss); for increasing the expression of an adenosine receptor in dermal cells (in combination with hair growth); for treating a condition or disease of the skin or at least one symptom thereof, including cosmetic treatment (e.g., wrinkles, hyperpigmentation, redness, rosacea, dryness, cracking, loss of firmness, loss of elasticity, thinning, and loss of vibrance). The methods comprise administering a sufficient amount of the disclosed CBP/catenin (e.g., CBP/B-catenin) antagonist compositions, and particularly wherein administration is in an amount and manner sufficient to provide for increasing the number of asymmetric renewing divisions relative to, or at the expense of symmetric divisions in relevant somatic stem cell population. In particular aspects, the CBP/catenin (e.g., CBP/B-catenin) antagonist comprises an alkyl and/or fatty acid ester derivative thereof as disclosed herein.