1-((12R,15S,18R)-12-(2-(cyclohexylmethyl)allyl)-15-isopropyl-9,9,12,15,18-pentamethyl-3,10,13,16,19-pentamethylene-18-(4-(2-methylene-4-(o-tolyl)butyl)benzyl)-22-phenyltricos-22-en-1-yl)-2-methylbenzene compound with 2,3,3-trimethylbut-1-ene (1:1) | 123183-60-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-((12R,15S,18R)-12-(2-(cyclohexylmethyl)allyl)-15-isopropyl-9,9,12,15,18-pentamethyl-3,10,13,16,19-pentamethylene-18-(4-(2-methylene-4-(o-tolyl)butyl)benzyl)-22-phenyltricos-22-en-1-yl)-2-methylbenzene compound with 2,3,3-trimethylbut-1-ene (1:1)
• CAS: 123183-60-8
• 化学式: C₂HF₃O₂*C₅₄H₆₃BrClN₅O₁₃
• 分子量: 1219.5
• InChiKey: FXVPZIIDYZICBX-NONSRHJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.22
• 重原子数：
  81.0
• 可旋转键数：
  26.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  294.15
• 氢给体数：
  6.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  N-叔丁氧羰基-N'-甲苯磺酰基-L-精氨酸 、 1-((12R,15S,18R)-12-(2-(cyclohexylmethyl)allyl)-15-isopropyl-9,9,12,15,18-pentamethyl-3,10,13,16,19-pentamethylene-18-(4-(2-methylene-4-(o-tolyl)butyl)benzyl)-22-phenyltricos-22-en-1-yl)-2-methylbenzene compound with 2,3,3-trimethylbut-1-ene (1:1) 在 HOBt-6-carboxamidomethyl polystyrene 、 N,N-二异丙基乙胺 作用下， 生成 Boc-Arg(Tos)-Lys(2Cl-Z)-Asp(OcHex)-Val-Tyr(2Br-Z)-OPa
  参考文献：
  名称：

  Thymosin-like peptides as potential immunostimulants. Synthesis via the polymeric-reagent method

  摘要：

  This paper reports our attempt at designing new immunostimulating peptides which are chemically related to the bioactive peptides thymosin alpha 1 and thymopentin. Three peptides were synthesized, Asp-Leu-Lys-Glu-Arg-Lys-Asp-Val-Tyr (3), Arg-Lys-Asp-Val-Tyr-Glu-Glu-Ala-Glu-Asn (2), and Asp-Leu-Lys-Glu-Arg-Lys-Asp-Val-Tyr-Glu-Glu-Ala-Glu-Asn (1), each of which contains the thymopentin sequence and portions of the bioactive sequence of thymosin alpha 1. Peptides 1-3 were assembled from selected blocked fragments that were synthesized by the polymeric-reagent method, using PHBT (polystyrene-bound 1-hydroxybenzotriazole) as the activating polymer. The ability of peptides 1-3 to enhance the activation (RNA synthesis) and proliferation (DNA synthesis) of human T lymphocytes was determined. In comparison to thymosin alpha 1, thymosin alpha 1 (15-28), and thymopentin, peptides 1-3 did not show significant enhancement of these processes.

  DOI：

  10.1021/jm00163a057
• 作为产物：
  描述：

  Boc-Lys(2Cl-Z)-Asp(OcHex)-Val-Tyr(2Br-Z)-OPa 在 三氟乙酸 作用下， 反应 0.17h， 生成 1-((12R,15S,18R)-12-(2-(cyclohexylmethyl)allyl)-15-isopropyl-9,9,12,15,18-pentamethyl-3,10,13,16,19-pentamethylene-18-(4-(2-methylene-4-(o-tolyl)butyl)benzyl)-22-phenyltricos-22-en-1-yl)-2-methylbenzene compound with 2,3,3-trimethylbut-1-ene (1:1)
  参考文献：
  名称：

  Thymosin-like peptides as potential immunostimulants. Synthesis via the polymeric-reagent method

  摘要：

  This paper reports our attempt at designing new immunostimulating peptides which are chemically related to the bioactive peptides thymosin alpha 1 and thymopentin. Three peptides were synthesized, Asp-Leu-Lys-Glu-Arg-Lys-Asp-Val-Tyr (3), Arg-Lys-Asp-Val-Tyr-Glu-Glu-Ala-Glu-Asn (2), and Asp-Leu-Lys-Glu-Arg-Lys-Asp-Val-Tyr-Glu-Glu-Ala-Glu-Asn (1), each of which contains the thymopentin sequence and portions of the bioactive sequence of thymosin alpha 1. Peptides 1-3 were assembled from selected blocked fragments that were synthesized by the polymeric-reagent method, using PHBT (polystyrene-bound 1-hydroxybenzotriazole) as the activating polymer. The ability of peptides 1-3 to enhance the activation (RNA synthesis) and proliferation (DNA synthesis) of human T lymphocytes was determined. In comparison to thymosin alpha 1, thymosin alpha 1 (15-28), and thymopentin, peptides 1-3 did not show significant enhancement of these processes.

  DOI：

  10.1021/jm00163a057