(4S,4aS,5aR,12aS)-4-(二甲基氨基)-1,4,4a,5,5a,6,11,12a-八氢-3,10,12,12a-四羟基-7-[(甲氧基甲基氨基)甲基]-1,11-二氧代-2-并四苯甲酰胺盐酸盐 | 1035979-44-2

• 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 - 苯丙烷和聚酮 - 四环素类
• 中文名称: (4S,4aS,5aR,12aS)-4-(二甲基氨基)-1,4,4a,5,5a,6,11,12a-八氢-3,10,12,12a-四羟基-7-[(甲氧基甲基氨基)甲基]-1,11-二氧代-2-并四苯甲酰胺盐酸盐
• 中文别名: (4S,4AS,5AR,12AS)-4-(二甲基氨基)-1,4,4A,5,5A,6,11,12A-八氢-3,10,12,12A-四羟基-7-[(甲氧基甲基氨基)甲基]-1,11-二氧代-2-并四苯甲酰胺盐酸盐；(4S,4AS,5AR,12AS)-4-(二甲基氨基)-1,4,4A,5,5A,6,11,12A-八氢-3,1,12,12A-四羟基-7-[(甲氧基甲基氨基)甲基]-1,11-二氧代-2-并四苯甲酰胺盐酸盐；盐酸沙利环素
• 英文名称: Sarecycline Hydrochloride
• 英文别名: (4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[[methoxy(methyl)amino]methyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
• CAS: 1035979-44-2
• 化学式: C24H30ClN3O8
• 分子量: 524.0
• InChiKey: JGPBDCKZLBSHOI-FIPJBXKNSA-N

物化性质

• 溶解度：
  DMF：0.25mg/mL，DMSO：0.25mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  0.38
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  174
• 氢给体数：
  6
• 氢受体数：
  10

制备方法与用途

生物活性

Sarecycline hydrochloride 是一种窄谱四环素类抗生素。Sarecycline hydrochloride 具有抗炎作用和对革兰氏阳性菌的有效活性，包括对多种痤疮角质杆菌的活性。Sarecycline hydrochloride 干扰 tRNA 调节并将 mRNA 与 70S 核糖体结合。

体外研究

Sarecycline inhibits 55 clinical isolates of C. acnes , and the MIC values for Sarecycline ranged from 0.5 to 16 µg/ml; the MIC ₅₀ was 0.5 µg/ml, and the MIC ₉₀ was 4 µg/ml. Sarecycline, exhibits activity against the macrolide-resistant organisms.
Sarecycline hydrochloride exhibits minimal activity against enteric aerobic Gram-negative bacteria.

体内研究

Sarecycline hydrochloride (0.33-9 mg/kg; i.v.) show potent activity against S. aureus in a murine neutropenic thigh infection model.

Animal Model:	Female SD-1 mice (A murine neutropenic thigh wound infection model)
Dosage:	0.33, 1, 3, or 9 mg/kg
Administration:	Intravenously
Result:	Achieved a 2-log10 reduction in the bacterial burden in the thigh at a dose comparable to that of doxycycline, with ED50s of 8.23 and 8.32 mg/kg, respectively.