(S)-3-甲基乙酰丙酸 | 152419-49-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: (S)-3-甲基乙酰丙酸
• 英文名称: (S)-3-methyllevulinic acid
• 英文别名: (S)-3-Methyllaevulinic acid；(3S)-3-Methyl-4-oxopentanoic acid
• CAS: 152419-49-3
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: NFIWUVRBASXMGK-BYPYZUCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (S)-(Z,E,E)-4-methylgeranylgeranyl diphosphate 在 臭氧 作用下， 生成 (S)-3-甲基乙酰丙酸
  参考文献：
  名称：

  十一碳二烯基二磷酸合酶对人工底物的新行为。所述的形成的-4-甲基衍生物，，，二磷酸-geranylgeranyl

  摘要：

  E-3-甲基-3-戊烯基二磷酸酯在与α，癸烯基二磷酸合酶催化的E，E-法呢基二磷酸酯的反应中充当人工底物。与该底物的合酶反应以与天然底物3-甲基-3-丁烯基二磷酸相同的立体化学方式进行，但在一步缩合阶段具有完全的终止，从而形成手性化合物（Z ，E，E）-（S）-4-甲基香叶基香叶基二磷酸酯。

  DOI：

  10.1016/s0040-4039(00)82120-6

文献信息

• PEPTIDE-COMPOUND CYCLIZATION METHOD
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20150080549A1

  公开（公告）日：2015-03-19

  An object of the present invention is to provide methods of discovering drugs effective for tough targets, which have conventionally been discovered only with difficulty. The present invention relates to novel methods for cyclizing peptide compounds, and novel peptide compounds and libraries comprising the same, to achieve the above object.

  本发明的目的是提供一种发现对于难以处理的靶点有效的药物的方法，这些药物通常很难被发现。本发明涉及新型的环化肽化合物的方法，以及包含这些化合物的新型肽库，以实现上述目的。
• Koul, Surinder; Crout, David H. G.; Errington, William, Journal of the Chemical Society. Perkin transactions I, 1995, # 23, p. 2969 - 2988
  作者：Koul, Surinder、Crout, David H. G.、Errington, William、Tax, Jiri

  DOI：——

  日期：——
• KOYAMA, TANETOSHI;ITO, MICHIO;OHNUMA, SHIN-ICHI;OGURA, KYOZO, TETRAHEDRON LETT., 29,(1988) N 31, C. 3807-3810
  作者：KOYAMA, TANETOSHI、ITO, MICHIO、OHNUMA, SHIN-ICHI、OGURA, KYOZO

  DOI：——

  日期：——
• TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL
  申请人：Shionogi & Co., Ltd.

  公开号：US20180186814A1

  公开（公告）日：2018-07-05

  The present invention provides a compound exhibiting a strong antimicrobial spectrum against various bacteria, including gram-negative bacteria, or a pharmaceutical composition having an antimicrobial activity carbapenem-resistant bacteria. Provided is a compound represented by formula (I), an ester thereof or a pharmaceutically acceptable salt thereof, or a hydrate thereof. (I) (in the formula, —W— is —S(═O)— or S(═O) 2 —, -T- is CR 4A R 4B — or —CR 5A —R 5B —CR 6A —R 6B —, each of R 2A and R 2B is independently a hydrogen atom, etc., or R 2A and R 2B together form a substituted or unsubstituted methylidene, etc., R 3 is a hydrogran atom, etc., R 11 is a carboxyl, etc., and each of R 7A and R 7B is independently a hydrogen atom, etc.)
• Novel behavior of undecaprenyl diphosphate synthase toward an artificial substrate. Formation of the -4-methyl derivative of,,,-geranylgeranyl diphosphate
  作者：Tanetoshi Koyama、Michio Ito、Shin-ichi Ohnuma、Kyozo Ogura

  DOI：10.1016/s0040-4039(00)82120-6

  日期：1988.1

  E-3-Methyl-3-pentenyl diphosphate acted as an artificial substrate in the reaction with E,E-farnesyl diphosphate catalyzed by undecaprenyl diphosphate synthase of . The synthase reaction with this substrate proceeded in the same stereochemical manner as that with the natural substrate, 3-methyl-3-butenyl diphosphate, but it had a full stop at the stage of one step condensation, thereby forming a chiral

  E-3-甲基-3-戊烯基二磷酸酯在与α，癸烯基二磷酸合酶催化的E，E-法呢基二磷酸酯的反应中充当人工底物。与该底物的合酶反应以与天然底物3-甲基-3-丁烯基二磷酸相同的立体化学方式进行，但在一步缩合阶段具有完全的终止，从而形成手性化合物（Z ，E，E）-（S）-4-甲基香叶基香叶基二磷酸酯。