4-[12-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-amino-6-[[(5S)-5-amino-6-oxohexyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-12-oxododecoxy]benzoic acid

• 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: 4-[12-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-amino-6-[[(5S)-5-amino-6-oxohexyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-12-oxododecoxy]benzoic acid
• 化学式: C₄₈H₈₁N₇O₁₅
• 分子量: 996.2
• InChiKey: KENACFBSLKAMRZ-XUPAESTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  70
• 可旋转键数：
  47
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  335
• 氢给体数：
  9
• 氢受体数：
  17

文献信息

• DOUBLE-ACYLATED GLP-1 DERIVATIVES
  申请人：Novo Nordisk A/S

  公开号：EP2846824B1

  公开（公告）日：2017-04-05
• Double-Acylated GLP-1 Derivatives
  申请人：Novo Nordisk A/S

  公开号：US20150152157A1

  公开（公告）日：2015-06-04

  The invention relates to a derivative of a GLP-1 peptide, which peptide comprises a first K residue and a second K residue, at positions corresponding to position 26, and 34, respectively, of GLP-1(7-37) (SEQ ID NO:1), and a maximum of eight amino acid changes as compared to GLP-1(7-37); which derivative comprises two protracting moieties attached to said first and second K residue, respectively, via a linker, wherein the protracting moiety is Chem. 2: HOOC—C 6 H 4 -0-(CH 2 ) y —CO—*, in which y is an integer in the range of 6-13; and the linker comprises Chem. 3a: *—NH—(CH 2 ) q —CH[(CH 2 ) w —NR 1 R 2 ]—CO—*, wherein q is an integer in the range of 0-5, R 1 and R 2 independently represent *—H or *—CH 3 , and w is an integer in the range of 0-5; or a pharmaceutically acceptable salt, amide, or ester thereof. The invention also relates to the pharmaceutical use thereof, for example in the treatment and/or prevention of all forms of diabetes and related diseases, as well as to corresponding novel peptide and linker intermediates. The derivatives are potent, stable, protracted, and suitable for oral administration.
• [EN] DOUBLE-ACYLATED GLP-1 DERIVATIVES<br/>[FR] DÉRIVÉS DU GLP-1 À DOUBLE ACYLATION
  申请人：NOVO NORDISK AS

  公开号：WO2013167455A1

  公开（公告）日：2013-11-14

  The invention relates to a derivative of a GLP-1 peptide, which peptide comprises a first K residue and a second K residue, at positions corresponding to position 26, and 34, respectively, of GLP-1(7-37) (SEQ ID NO:1), and a maximum of eight amino acid changes as compared to GLP-1(7-37); which derivative comprises two protracting moieties attached to said first and second K residue, respectively, via a linker, wherein the protracting moiety is Chem. 2: HOOC-C6H4-0-(CH2)y-CO-*, in which y is an integer in the range of 6-13; and the linker comprises Chem. 3a: *-NH-(CH2)q-CH[(CH2)w-NR1R2]-CO-*, wherein q is an integer in the range of 0-5, R1 and R2 independently represent *-H or *-CH3, and w is an integer in the range of 0-5; or a pharmaceutically acceptable salt, amide, or ester thereof. The invention also relates to the pharmaceutical use thereof, for example in the treatment and/or prevention of all forms of diabetes and related diseases, as well as to corresponding novel peptide and linker intermediates. The derivatives are potent, stable, protracted, and suitable for oral administration.