乙酰基柏木烯 | 125935-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙酰基柏木烯
• 英文名称: Hyaluronan
• 英文别名: (2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• CAS: 125935-84-4
• 化学式: C₂₈H₄₄N₂O₂₃
• 分子量: 776.6
• InChiKey: KIUKXJAPPMFGSW-MNSSHETKSA-N

物化性质

• 溶解度：
  Easily soluble in cold water. Insoluble in organic solvents.

计算性质

• 辛醇/水分配系数(LogP)：
  -7.4
• 重原子数：
  53
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  400
• 氢给体数：
  14
• 氢受体数：
  23

ADMET

代谢

透明质酸被一类称为透明质酸酶的酶家族降解。在动物体内，它被肠道细菌代谢成寡糖，随后在大肠中被重新吸收。

Hyaluronic acid is degraded by a family of enzymes called hyaluronidases. In animals, it is metabolized into oligosaccharides by intestinal bacteria and subsequently reabsorbed in the large intestine.

来源:DrugBank

毒理性

• 蛋白质结合

文献中关于透明质酸的人类药代动力学信息有限。体外研究发现，血清白蛋白与透明质酸结合形成一个可溶性复合物。

There is limited information in the literature regarding the human pharmacokinetics of hyaluronic acid. In vitro studies determined that serum albumin and hyaluronic acid bind to form a soluble complex.

来源:DrugBank

吸收、分配和排泄

• 吸收

文献中关于透明质酸的吸收和药代动力学的信息有限。当以口服形式给予大鼠时，透明质酸会被肠道细菌分解成寡糖并在结肠中被吸收。在比格犬的药代动力学研究中，透明质酸被迅速吸收并快速排出。当外用时，分子量在20-300 kDa的低分子量透明质酸可以通过角质层被吸收，而分子量在1000-1400 kDa的高分子量透明质酸则不能穿透角质层。透明质酸的生物利用度取决于其分子量。

There is limited information in the literature regarding the human absorption and pharmacokinetics of hyaluronic acid. When administered to rats in the oral form, hyaluronic acid is broken down to oligosaccharides by intestinal bacteria and absorbed in the colon. In pharmacokinetic studies of beagle dogs, HA was readily absorbed and rapidly excreted. When applied topically, HA with low molecular weight ranging from 20-300 kDa is absorbed through the stratum corneum, and HA with high molecular weight (1000-1400 kDa) does not penetrate the stratum corneum. The bioavailability of hyaluronic acid depends on its molecular weight.

来源:DrugBank

吸收、分配和排泄

• 消除途径

文献中关于透明质酸的人类药代动力学信息有限。在大鼠和狗口服放射性标记的透明质酸的研究中，显示有87-96%通过粪便排出。透明质酸的排泄主要是额外肾性的，脾脏也有一定的贡献。

There is limited information in the literature regarding the human pharmacokinetics of hyaluronic acid. Studies in rats and dogs administered a radio-labeled oral dose of HA showed 87-96% excretion the feces. Excretion of hyaluronic acid is primarily extra-renal, with some contribution from the spleen.

来源:DrugBank

吸收、分配和排泄

• 分布容积

文献中关于透明质酸的人体药代动力学信息有限。在真皮填充剂注射后，透明质酸迅速分布到浅层和深层真皮中。透明质酸在大鼠肠道代谢成寡糖后分布到皮肤。在大鼠和比格犬口服透明质酸后，HA在甲状腺、肾脏、膀胱和胃中积累。单次给药后4小时内，HA在脊椎、关节和唾液腺中浓缩。动物药代动力学研究表明，HA可能分布到淋巴系统中。

There is limited information in the literature regarding the human pharmacokinetics of hyaluronic acid. After a dermal filler injection, HA distributes rapidly into the superficial and deep dermis. Hyaluronic acid is distributed to skin of rats after intestinal metabolism into oligosaccharides. In rats and beagle dogs receiving oral hyaluronic acid, HA accumulated in the thyroid gland, kidneys, bladder, and stomach. HA was found to be concentrated in the vertebrae, joints, and salivary glands within 4 hours after a single dose. It is suggested by pharmacokinetic studies in animals that HA distributes into the lymphatic system.

来源:DrugBank

吸收、分配和排泄

• 清除

文献中关于透明质酸的人类药代动力学信息有限。在一项针对兔子的药代动力学研究中，静脉注射透明质酸的最大清除能力约为每天每千克30毫克。

There is limited information in the literature regarding the human pharmacokinetics of hyaluronic acid. In a pharmacokinetic study of rabbits, maximum clearance capacity of intravenously administered hyaluronic acid was about 30 mg/day/kg.

来源:DrugBank