Lys-Asp-Ser-Phe-Phe-Gly-Leu-Met-NH2 | 143267-20-3

• 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: Lys-Asp-Ser-Phe-Phe-Gly-Leu-Met-NH2
• 英文别名: N-(1-{1-[1-({[1-(1-Carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-3-(2,6-diamino-hexanoylamino)-succinamic acid；(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid
• CAS: 143267-20-3
• 化学式: C₄₄H₆₆N₁₀O₁₁S
• 分子量: 943.134
• InChiKey: NQIPNEISCKYLGD-POFDKVPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  66
• 可旋转键数：
  31
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  382
• 氢给体数：
  12
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  N-芴甲氧羰基-N'-叔丁氧羰基-L-赖氨酸五氟苯酯 、 FMOC-O-叔丁基-L-丝氨酸五氟苯酯 、 N-芴甲氧羰基-L-苯丙氨酸五氟苯酯 、 Nα-Fmoc-L-Asn-OPfp 、 alkaline earth salt of/the/ methylsulfuric acid 生成 Lys-Asp-Ser-Phe-Phe-Gly-Leu-Met-NH2
  参考文献：
  名称：

  Conformationally constrained tachykinin analogs: potent and highly selective neurokinin NK-2 receptor agonists

  摘要：

  The design and synthesis of potent and seleCtive neurokinin NK-2 receptor agonists 12 (GR64349) and 31 are described, together with structure-activity relationships for related analogues. Compound 12 (EC50 = 3.7 nM at NK-2 receptors in the rat colon; selectivity > 1000- and > 300-fold with respect to NK-1 and NK-3 receptors. respectively) was derived by incorporation of a Gly-Leu gamma-lactam conformational constraint into the C-terminal region of the neurokinin A. octapeptide analogue [Lys3]-NKA(3-10). Compound 31 (EC50 = 15 nM in rat colon) contains a novel fused-bicyclic constraint at the corresponding site in the substance P hexapeptide analogue [Ava6]-SP(6-11).

  DOI：

  10.1021/jm00100a027