methyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate | 21543-95-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
• 英文别名: 4-Methoxycarbonyl-2,2,3,3,4,4-hexafluor-butyrylchlorid；Methyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
• CAS: 21543-95-3
• 化学式: C₆H₃ClF₆O₃
• 分子量: 272.531
• InChiKey: KGYBTMIQPBZSGO-UHFFFAOYSA-N

物化性质

• 沸点：
  173.0±40.0 °C(Predicted)
• 密度：
  1.580±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  methyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate 在 五氯化磷 、 肼 作用下， 反应 2.0h， 生成 4H,4'H-dodecafluoro-4,4'-[1,3,4]oxadiazole-2,5-diyl-bis-butyric acid dimethyl ester
  参考文献：
  名称：

  Mazalova,Z.I. et al., Journal of Organic Chemistry USSR (English Translation), 1975, vol. 11, p. 59 - 64

  摘要：

  DOI：
• 作为产物：
  描述：

  六氟戊二酸单甲酯 在 五氯化磷 作用下， 生成 methyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
  参考文献：
  名称：

  Baranova,L.A. et al., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 2351 - 2353

  摘要：

  DOI：

文献信息

• IAP ANTAGONISTS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150322111A1

  公开（公告）日：2015-11-12

  There are disclosed compounds of formula (I) that modulate the activity of inhibitors of apoptosis (IAPs), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders and disorders of dysregulated apoptosis, such as cancer, utilizing the compounds of the invention.

  公开了化合物(I)的配方，该化合物调节凋亡抑制剂(IAPs)的活性，包含该化合物的药物组合物以及利用本发明的化合物治疗增生性疾病和失调凋亡疾病，如癌症的方法。
• Discovery of Potent Heterodimeric Antagonists of Inhibitor of Apoptosis Proteins (IAPs) with Sustained Antitumor Activity
  作者：Heidi L. Perez、Charu Chaudhry、Stuart L. Emanuel、Caroline Fanslau、Joseph Fargnoli、Jinping Gan、Kyoung S. Kim、Ming Lei、Joseph G. Naglich、Sarah C. Traeger、Ragini Vuppugalla、Donna D. Wei、Gregory D. Vite、Randy L. Talbott、Robert M. Borzilleri

  DOI：10.1021/jm501482t

  日期：2015.2.12

  The prominent role of IAPs in controlling cell death and their overexpression in a variety of cancers has prompted the development of IAP antagonists as potential antitumor therapies. We describe the identification of a series of heterodimeric antagonists with highly potent antiproliferative activities in cIAP- and XIAP-dependent cell lines. Compounds 15 and 17 further demonstrate curative efficacy in human melanoma and lung cancer xenograft models and are promising candidates for advanced studies.
• US9783573B2
  申请人：——

  公开号：US9783573B2

  公开（公告）日：2017-10-10
• [EN] IAP ANTAGONISTS<br/>[FR] ANTAGONISTES D'IAP
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014047024A1

  公开（公告）日：2014-03-27

  There are disclosed compounds of formula (I) that modulate the activity of inhibitors of apoptosis (lAPs), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders and disorders of dysregulated apoptosis, such as cancer, utilizing the compounds of the invention. (Formula (I))
• Baranova,L.A. et al., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 2351 - 2353
  作者：Baranova,L.A. et al.

  DOI：——

  日期：——