(D-ARG1,D-PRO2,D-TRP7,9,LEU11)-SUBSTANCE P | 84676-91-5

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (D-ARG1,D-PRO2,D-TRP7,9,LEU11)-SUBSTANCE P
• 英文别名: Spantide I；D-Arg-D-Pro-Lys-Pro-D-Gln-D-Gln-D-Trp-Phe-D-Trp-Leu-Leu-NH2
• CAS: 84676-91-5；87026-43-5；88543-54-8；88543-56-0；88543-58-2；91224-37-2；102966-16-5；108360-88-9
• 化学式: C₇₅H₁₀₈N₂₀O₁₃
• 分子量: 1497.81
• InChiKey: SAPCBHPQLCZCDV-PUAWSQJBSA-N

物化性质

• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.63
• 重原子数：
  108.0
• 可旋转键数：
  43.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  548.21
• 氢给体数：
  18.0
• 氢受体数：
  16.0

制备方法与用途

生物活性

Spantide I 是substance P 的类似物，是选择性的神经激肽-1 受体 (NK1 receptor) 的拮抗剂，其对NK1 和 NK2 受体的 Ki 值分别为 230 nM 和 8150 nM。Spantide I 可减少感染角膜的1型细胞因子和增强2型细胞因子 IL-10，从而显著减少角膜穿孔。

靶点

NK1 230 nM (Ki)

NK2 8150 nM (Ki)

体内研究

Spantide I (50 and 100 nM perfused through the cerebral ventricles) causes a complete respiratory arrest in all of the examined animals.
Spantide I (36 μg/mouse, ip daily) significantly decreases the number of perforated corneas, bacterial counts, and PMNs. Spantide I also downregulates the mRNA levels for type I cytokines (e.g., IFN-γ) as well as MIP-2, IL-6, TNF-α, and IL-1β.

Animal Model:	Female, 8-week-old C57BL/6 (B6) and BALB/c mice.
Dosage:	36 μg/mouse.
Administration:	IP on days -1 and 0 (day of infection) and daily through 5 days pi (post infection).
Result:	At 3 and 5 days pi, compound-treated mice had significantly less severe ocular disease than did the PBS-treated mice. Contained significantly fewer PMNs than the corneas of PBS-treated mice at 3 and 5 days pi. Significantly reduced levels of corneal TNF-α mRNA at 3 and 5 days pi. Significantly reduced the level of IL-18 mRNA at 1 day pi.