1-amino-octan-3-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-amino-octan-3-one
• 英文别名: 1-Amino-octan-3-on；1-Aminooctan-3-one
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: JQITZKSYDXXSON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-溴-2辛炔 在 乙醇 、 硫酸 、 mercury(II) sulfate 作用下， 生成 1-amino-octan-3-one
  参考文献：
  名称：

  Marszak; Koulkes, Bulletin de la Societe Chimique de France, 1956, p. 93,95

  摘要：

  DOI：

文献信息

• KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE
  申请人：Savile Christopher

  公开号：US20100151534A1

  公开（公告）日：2010-06-17

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds. The engineered ketoreductase polypeptides are optimized for catalyzing the conversion of N,N-dimethyl-3-keto-3-(2-thienyl)-1-ketopropanamine to (S)—N,N-dimethyl-3-hydroxy-3-(2-thienyl)-1-propanamine.

  本公开提供了经过改造的酮还原酶酶，其性能比自然存在的野生型酮还原酶酶有所提高。还提供了编码经过改造的酮还原酶酶的多核苷酸、能够表达经过改造的酮还原酶酶的宿主细胞，以及使用经过改造的酮还原酶酶合成各种手性化合物的方法。经过改造的酮还原酶多肽经过优化，可催化将N，N-二甲基-3-酮基-3-(2-噻吩基)-1-丙胺转化为(S)-N，N-二甲基-3-羟基-3-(2-噻吩基)-1-丙胺。
• KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF 3-ARYL-3-HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE
  申请人：Savile Christopher

  公开号：US20100173369A1

  公开（公告）日：2010-07-08

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds. The engineered ketoreductase polypeptides are optimized for catalyzing the conversion of N-methyl-3-keto-3-(2-thienyl)-1-propanamine to (S)—N-methyl-3-hydroxy-3-(2-thienyl)-1-propanamine.

  本公开提供了经过改良的酮还原酶酶，其性质优于自然存在的野生型酮还原酶酶。还提供了编码经过改良的酮还原酶酶的多核苷酸，能够表达经过改良的酮还原酶酶的宿主细胞，以及使用经过改良的酮还原酶酶合成各种手性化合物的方法。经过改良的酮还原酶多肽被优化，用于催化N-甲基-3-酮基-3-(2-噻吩基)-1-丙胺转化为(S)-N-甲基-3-羟基-3-(2-噻吩基)-1-丙胺。
• POLYNUCLEOTIDES ENCODING ENGINEERED KETOREDUCTASE POLYPEPTIDES
  申请人：Savile Christopher

  公开号：US20130005017A1

  公开（公告）日：2013-01-03

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds. The engineered ketoreductase polypeptides are optimized for catalyzing the conversion of N-methyl-3-keto-3-(2-thienyl)-1-propanamine to (S)—N-methyl-3-hydroxy-3-(2-thienyl)-1-propanamine.

  本公开提供了经过改良的酮还原酶酶，其性能比自然存在的野生型酮还原酶酶有所提高。还提供了编码经过改良的酮还原酶酶的多核苷酸，能够表达经过改良的酮还原酶酶的宿主细胞，以及使用经过改良的酮还原酶酶合成各种手性化合物的方法。经过改良的酮还原酶多肽经过优化，可催化将N-甲基-3-酮-3-(2-噻吩基)-1-丙胺转化为(S)-N-甲基-3-羟基-3-(2-噻吩基)-1-丙胺。
• KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF A 3-ARYL-3 HYDROXYPROPANAMINE FROM A 3-ARYL-3-KETOPROPANAMINE
  申请人：Codexis, Inc.

  公开号：US20130177962A1

  公开（公告）日：2013-07-11

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds. The engineered ketoreductase polypeptides are optimized for catalyzing the conversion of N,N-dimethyl-3-keto-3-(2-thienyl)-1-ketopropanamine to (S)—N,N-dimethyl-3-hydroxy-3-(2-thienyl)-1-propanamine.

  本公开提供了经过改良的酮还原酶酶，其性质优于自然存在的野生型酮还原酶酶。同时提供了编码经过改良的酮还原酶酶的多核苷酸，能够表达经过改良的酮还原酶酶的宿主细胞，以及使用经过改良的酮还原酶酶合成各种手性化合物的方法。经过改良的酮还原酶多肽被优化用于催化将N，N-二甲基-3-酮基-3-(2-噻吩基)-1-酮丙胺转化为(S)-N，N-二甲基-3-羟基-3-(2-噻吩基)-1-丙胺。
• ENGINEERED KETOREDUCTASE POLYPEPTIDES
  申请人：CODEXIS, INC.

  公开号：US20160083759A1

  公开（公告）日：2016-03-24

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds. The engineered ketoreductase polypeptides are optimized for catalyzing the conversion of N-methyl-3-keto-3-(2-thienyl)-1-propanamine to (S)—N-methyl-3-hydroxy-3-(2-thienyl)-1-propanamine.

  本公开提供了经过改良的酮还原酶酶，其性质优于自然存在的野生型酮还原酶酶。还提供了编码经过改良的酮还原酶酶的多核苷酸，能够表达经过改良的酮还原酶酶的宿主细胞，以及使用经过改良的酮还原酶酶合成各种手性化合物的方法。经过改良的酮还原酶多肽经过优化，可催化N-甲基-3-酮-3-(2-噻吩基)-1-丙胺转化为(S)-N-甲基-3-羟基-3-(2-噻吩基)-1-丙胺。