D,L-isopropionine | 557-02-8

• 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: D,L-isopropionine
• 英文别名: S-isopropyl-homocysteine；S-Isopropyl-homocystein；2-Amino-4-(propan-2-ylsulfanyl)butanoic acid；2-amino-4-propan-2-ylsulfanylbutanoic acid
• CAS: 557-02-8
• 化学式: C₇H₁₅NO₂S
• 分子量: 177.268
• InChiKey: SBWCYBXCDWRCTJ-UHFFFAOYSA-N

物化性质

• 熔点：
  255-256 °C (decomp)
• 沸点：
  315.0±37.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-(2-isopropylmercapto-ethyl)-imidazolidine-2,4-dione 在 sodium hydroxide 作用下， 生成 D,L-isopropionine
  参考文献：
  名称：

  Staronka, Dissertationes Pharmaceuticae, 1957, vol. 9, p. 239,242,244

  摘要：

  DOI：

文献信息

• Method for production of methionine from homoserine
  申请人：Degussa GmbH

  公开号：US07368600B2

  公开（公告）日：2008-05-06

  The invention relates to a method for production of D- and/or L-methionine via D- and/or L-homoserine with subsequent chemical transformation to give methionine.

  这项发明涉及一种通过D-和/或L-同型丝氨酸制备D-和/或L-蛋氨酸的方法，随后进行化学转化以得到蛋氨酸。
• Rationally engineered variants of S-adenosylmethionine (SAM) synthase: reduced product inhibition and synthesis of artificial cofactor homologues
  作者：M. Dippe、W. Brandt、H. Rost、A. Porzel、J. Schmidt、L. A. Wessjohann

  DOI：10.1039/c4cc08478k

  日期：——

  Rational redesign of bacterialS-adenosylmethionine-synthase by 3D-modelling and docking led to variants that allow synthesis of methylation cofactor SAM (AdoMet) without product inhibition, and of higher alkyl homologues.

  通过三维建模和对接，对细菌腺苷甲硫氨酸合成酶进行合理重设计，导致产生变种，可以合成甲基化辅酶SAM（AdoMet）而无产物抑制，并且可以合成更高级的烷基同系物。
• Inhibitors of creatine transport and uses thereof
  申请人：Rgenix, Inc.

  公开号：US10308597B2

  公开（公告）日：2019-06-04

  This invention relates to compounds that inhibit creatine transport and/or creatine kinase, pharmaceutical compositions including such compounds, and methods of utilizing such compounds and compositions for the treatment of cancer.

  本发明涉及抑制肌酸转运和/或肌酸激酶的化合物、包括此类化合物的药物组合物，以及利用此类化合物和组合物治疗癌症的方法。
• PHARMACEUTICAL COMPOSITIONS FOR PREVENTING BREAST AND OVARIAN CANCER
  申请人：Pomeranian Academy of Medicine

  公开号：EP1660060A2

  公开（公告）日：2006-05-31
• Inhibitors of 5'-Methylthioadenosine Phosphorylase and 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase
  申请人：Babu Yarlagadda S.

  公开号：US20090012104A1

  公开（公告）日：2009-01-08

  Described are compounds of the general formula (I), VI and (VII). Also described are pharmaceutical compositions comprising the compounds identified. The compounds and pharmaceutical compositions described are inhibitors of 5′-methylthioadenosine/S-adenosylhomocystein nucleosidase (MTAN) and/or 5′-methylthioadenosine phosphorylase (MTAP). Methods of treatment using the compounds and pharmaceutical compositions described are also provided for preventing and/or treating disease states and/or conditions by inhibiting MTAN and/or MTAP in patients.