2(3H)-苯并噻唑亚胺,6-乙氧基-3-乙基- | 285571-64-4

• 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
• 中文名称: 2(3H)-苯并噻唑亚胺,6-乙氧基-3-乙基-
• 英文名称: Barusiban
• 英文别名: (4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
• CAS: 285571-64-4
• 化学式: C₄₀H₆₃N₉O₈S
• 分子量: 830.1
• InChiKey: UGNGRKKDUVKQDF-IHOMMZCZSA-N

物化性质

• 沸点：
  1262.1±65.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  58
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  296
• 氢给体数：
  9
• 氢受体数：
  10

文献信息

• OXYTOCIN ANTAGONIST DOSING REGIMENS FOR PROMOTING EMBRYO IMPLANTATION AND PREVENTING MISCARRIAGE
  申请人：ObsEva S.A.

  公开号：US20190247361A1

  公开（公告）日：2019-08-15

  The invention provides compositions and methods for the use of oxytocin antagonists, such as substituted pyrrolidin-3-one oxime derivatives, among other compounds, in the treatment of subjects undergoing embryo transfer therapy. The compositions and methods of the invention can be used to dose subjects with oxytocin antagonists, including (3Z,55)-5-(hydroxymethyl)-1-[(2′-methyl-1,1′-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime, among others, so as to improve endometrial receptivity and reduce the likelihood of embryo implantation failure and miscarriage following, for example, in vitro fertilization (IVF) and intracytoplasmic sperm injection (ICSI) embryo transfer procedures.
• [EN] NEW METHODS FOR MAKING BARUSIBAN AND ITS INTERMEDIATES<br/>[FR] NOUVEAUX PROCÉDÉS DE FABRICATION DE BARUSIBAN ET SES INTERMÉDIAIRES
  申请人：FERRING BV

  公开号：WO2017060339A1

  公开（公告）日：2017-04-13

  The present invention relates to new solid phase peptide methods for synthesizing analogues that exhibit oxytocin antagonist activity, specifically Barusiban and its intermediates. Specifically, the present invention relates to a solid phase process for preparing a compound having the formula c[AA1-AA6]-AA7-ol, wherein AA1 is propionic acid, AA2 is preferably D-Trp, AA3 is Ile, AA4 is preferably AlloIle, AA5 is Asn, AA6 is hCy, and AA7 is preferably N-Me-Orn-ol, or a pharmaceutically acceptable salt or solvate thereof.