Bms ccr2 22 | 445479-97-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Bms ccr2 22
• 英文别名: N-[2-[[(1S,2R)-2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
• CAS: 445479-97-0
• 化学式: C₃₂H₄₄N₅O₇PolS
• 分子量: 593.7
• InChiKey: IBPXYDUJQWENPM-XZOQPEGZSA-N

物化性质

• 沸点：
  764.9±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)
• 溶解度：
  在 DMSO 中溶解度为 100 mM，在乙醇中溶解度为 10 mM

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  154
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Bms ccr2 22 在 三异丙基硅烷 、 三氟乙酸 作用下， 以 水 为溶剂， 反应 2.0h， 以63%的产率得到H-Leu-Pro-Cys(Acm)-Phe-Tyr-OH
  参考文献：
  名称：

  用一锅连接法对携带复杂型N-聚糖的Tim-3免疫球蛋白结构域进行化学酶法合成。

  摘要：

  连接：通过化学酶促合成标题免疫球蛋白（Ig）结构域。该结构域分为三个部分，并通过固相肽合成法合成了N和S保护的肽硫酯。通过使用无Ag +和硫离子辅助的Ag +辅助活化来实现单锅顺序连接。在折叠和酶促转移合成聚糖后，成功获得了带有九糖的所需Ig结构域。

  DOI：

  10.1002/anie.201303073
• 作为产物：
  描述：

  (2S)-Fmoc-4-phenoxypyrrolidine-2-carboxylic acid 、 、 FMOC-N-甲基-L-丙氨酸 、 Fmoc-L-叔亮氨酸 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 哌啶 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 Bms ccr2 22
  参考文献：
  名称：

  Solid phase synthesis of Smac/DIABLO-derived peptides using a ‘Safety-Catch’ resin: Identification of potent XIAP BIR3 antagonists

  摘要：

  The N-terminal sequence of the Smac/DIABLO protein is known to be involved in binding to the BIR3 domain of the anti-apoptotic proteins IAPs, antagonizing their action. Short peptides and peptide mimetics based on the first 4-residues of Smac/DIABLO have been demonstrated to re-sensitize resistant cancer cells, over-expressing IAPs, to apoptosis. Based on the well-defined structural basis for this interaction, a small focused library of C-terminal capped Smac/DIABLO-derived peptides was designed in silico using docking to the XIAP BIR3 domain. The top-ranked computational hits were conveniently synthesized employing Solid Phase Synthesis (SPS) on an alkane sulfonamide 'Safety-Catch' resin. This novel approach afforded the rapid synthesis of the target peptide library with high flexibility for the introduction of various C-terminal amide-capping groups. The library members were obtained in high yield (>65%) and purity (>85%), upon nucleophilic release from the activated resin by treatment with various amine nucleophiles. In vitro caspase-9 activity reconstitution assays of the peptides in the presence of the recombinant BIR3-domain of human XIAP (500 nM) revealed N-methylalanyl-tertiarybutylglycinyl-4-(R)-phenoxyprolyl-N-biphenylmethyl carboxamide (11a) to be the most potent XIAP BIR3 antagonist of the series synthesized inducing 93% recovery of caspase-9 activity, when used at 1 mu M concentration. Compound (11a) also demonstrated moderate cytotoxicity against the breast cancer cell lines MDA-MB-231 and MCF-7, compared to the Smac/DIABLO-derived wild-type peptide sequences that were totally inactive in the same cell lines. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.06.055

文献信息

• Inhibition of chemokine CCL7 or receptor CCR3 of same for the treatment and diagnosis of prostate cancer
  申请人：Universite Paul Sabatier (Toulouse III)

  公开号：US10401365B2

  公开（公告）日：2019-09-03

  The invention concerns an inhibitor of the expression of chemokine CCL7 or an inhibitor of the expression of the receptor CCR3 or an inhibitor of CCL7/CCR3 interaction for the use of same to prevent or treat the extension of prostate cancer outside the prostatic capsule in a subject. The invention also concerns a method for determining the degree of aggressiveness of a prostate cancer tumor in a subject suffering from prostate cancer, comprising a step of determining the concentration or level of expression of the receptor CCR3 in a sample of prostate tumor cells obtained from said subject.

  本发明涉及一种趋化因子CCL7表达抑制剂或受体CCR3表达抑制剂或CCL7/CCR3相互作用抑制剂，用于预防或治疗受试者的前列腺癌向前列腺囊外延伸。本发明还涉及一种确定前列腺癌患者前列腺癌肿瘤侵袭程度的方法，该方法包括一个步骤，即确定从所述患者处获得的前列腺肿瘤细胞样本中受体CCR3的浓度或表达水平。
• NEW LEUKOCYTE INFILTRATE MARKERS FOR ROSACEA AND USES THEREOF
  申请人：Galderma Research & Development

  公开号：EP2771484A1

  公开（公告）日：2014-09-03
• Inhibition of Chemokine CCL7 or Receptor CCR3 of Same for the Treatment and Diagnosis of Prostate Cancer
  申请人：Universite Paul Sabatier (Toulouse III)

  公开号：US20170131282A1

  公开（公告）日：2017-05-11

  The invention concerns an inhibitor of the expression of chemokine CCL7 or an inhibitor of the expression of the receptor CCR3 or an inhibitor of CCL7/CCR3 interaction for the use of same to prevent or treat the extension of prostate cancer outside the prostatic capsule in a subject. The invention also concerns a method for determining the degree of aggressiveness of a prostate cancer tumour in a subject suffering from prostate cancer, comprising a step of determining the concentration or level of expression of the receptor CCR3 in a sample of prostate tumour cells obtained from said subject.
• AUF1 ENCODING COMPOSITIONS FOR MUSCLE CELL UPTAKE, SATELLITE CELL POPULATIONS, AND SATELLITE CELL MEDIATED MUSCLE GENERATION
  申请人：SCHNEIDER Robert J.

  公开号：US20180163178A1

  公开（公告）日：2018-06-14

  The present invention relates to compositions (e.g., AUF1 encoding compositions) for muscle cell uptake, satellite cell populations and compositions containing muscle satellite cell populations, pharmaceutical compositions, methods of producing muscle satellite cell compositions, and methods of causing muscle satellite cell mediated muscle generation.
• [EN] NEW LEUKOCYTE INFILTRATE MARKERS FOR ROSACEA AND USES THEREOF<br/>[FR] NOUVEAUX MARQUEURS D'INFILTRAT LEUCOCYTAIRE DE ROSACÉE ET UTILISATIONS DE CEUX-CI
  申请人：GALDERMA RES & DEV

  公开号：WO2013060865A1

  公开（公告）日：2013-05-02

  The invention is related to a novel characterization process of rosacea by identifying for the first time new markers in the leukocyte recruitment as well as the therapeutic applications targeting in rosacea.