(S)-[3-Chloro-2-oxo-1-(phenylmethyl)propyl]-carbamic acid,1,1-dimethylethyl ester | 910642-66-9

• 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: (S)-[3-Chloro-2-oxo-1-(phenylmethyl)propyl]-carbamic acid,1,1-dimethylethyl ester
• 英文别名: (S)-[3-chloro-1-(phenylmethyl)-2-oxopropyl]carbamic acid,1,1-dimethylethyl ester；[1(S)-benzyl-2-oxo-3-chloropropyl]carbamic acid t-butyl ester；L-[N-(t-butoxycarbonyl)phenylalanyl]methyl chloride；t-butyl [1(S)-benzyl-2-oxo-3-chloropropyl]carbamate；(S)-[3-Chloro-2-oxo-1-(phenylmethyl)propyl]-carbamic acid, 1,1-dimethylethyl ester；(S)-[3-chloro-1-(phenylmethyl)-2-oxopropyl]carbamic acid, 1,1-dimethylethyl ester；(1-Benzyl-3-chloro-2-oxopropyl)carbamic acid tert-butyl ester；tert-butyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
• CAS: 910642-66-9
• 化学式: C₁₅H₂₀ClNO₃
• 分子量: 297.782
• InChiKey: JAKDNFBATYIEIE-UHFFFAOYSA-N

物化性质

• 沸点：
  423.9±40.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-[3-Chloro-2-oxo-1-(phenylmethyl)propyl]-carbamic acid,1,1-dimethylethyl ester 在 sodium borohydrid 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (1S)-[3-chloro-1-(phenylmethyl)-2-hydroxypropyl]carbamic acid,1,1-dimethylethyl ester
  参考文献：
  名称：

  Aminocarbonyl renin inhibitors

  摘要：

  揭示了公式##STR1##的化合物。这些化合物通过抑制肾素干预将血管紧张素原转化为血管紧张素II，因此可用作降压药物。

  公开号：

  US04749781A1
• 作为产物：
  描述：

  叔丁基(4-(二甲基(氧代)-Λ6-亚磺酰基)-3-氧代-1-苯基丁烷-2-基)氨基甲酸酯 在 甲烷磺酸 、 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以81%的产率得到(S)-[3-Chloro-2-oxo-1-(phenylmethyl)propyl]-carbamic acid,1,1-dimethylethyl ester
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS

  摘要：

  本发明涉及一种从易得的烷基酯通过磺醚锂化亚胺与该烷基酯发生反应制备α-氯酮的方法，生成一个酮基磺醚锂化亚胺，然后用无水HCl处理该酮基磺醚锂化亚胺。

  公开号：

  US20050090670A1

文献信息

• Processes for producing .alpha.-halo ketones, .alpha.-halohydrins and
  申请人：Kaneka Corporation

  公开号：US05929284A1

  公开（公告）日：1999-07-27

  Processes for efficiently producing .alpha.-halo ketones, .alpha.-halohydrins and epoxides on an industrial scale. The prosesses include one for producing an .alpha.-halo ketone of general formula (3) by decarboxylating a product of reaction between a carboxilic acid derivative of general formula (1) and a metal enolate prepared from an .alpha.-haloacetic acid of general formula (2) or an acceptable salt thereof, one for producing an by reducing the .alpha.-halo ketone (3), and one for producing an epoxide (13) by treating the .alpha.-halohydrin (11) with a base to effect ring closure. The above prosesses are particularly suitable for producing optically active .alpha.-halo ketones, .alpha.-halohydrins and epoxides from the corresponding .alpha.-amino acid derivatives. ##STR1##

  工业规模上高效生产α-卤代酮、α-卤代醇和环氧化合物的方法。这些方法包括通过脱羧一种由一般公式(1)的羧酸衍生物与由一般公式(2)的α-卤代乙酸或其可接受的盐制得的金属烯醇盐的反应产物来生产一般公式(3)的α-卤代酮的一种方法，通过还原α-卤代酮(3)来生产α-卤代醇的一种方法，以及通过用碱处理α-卤代醇(11)以实现环闭合来生产环氧化合物(13)的一种方法。上述过程特别适用于从相应的α-氨基酸衍生物生产光学活性的α-卤代酮、α-卤代醇和环氧化合物。
• Melanocortin receptor ligands
  申请人：Ebetino Hallock Frank

  公开号：US20060128613A1

  公开（公告）日：2006-06-15

  Disclosed are MC-4 and/or MC-3 receptor ligands, the ligands having a structure according to Formula (I): wherein R 2 , R 4 , R 4′ , R 5 , R 6 , R 6′ , R 7 , R 8 , R 8′ , R 9 , R 9′ , R 10 , Ar, Z 1 , Z 2 , Z 3 , X, B, D, p, q, r and s are as described in the specification and claims, and optical isomers, diastereomers or enantiomers thereof; pharmaceutically-acceptable salts, hydrates, and biohydrolyzable esters, amides or imides thereof. Also disclosed are pharmaceutical compositions comprising the ligands of Formula (I), as well as methods of treating diseases mediate by the MC-4/MC-3 receptors, as described in the Detailed Descriptions section of the specification.

  公开了MC-4和/或MC-3受体配体，该配体具有按照式（I）的结构：其中R2、R4、R4'、R5、R6、R6'、R7、R8、R8'、R9、R9'、R10、Ar、Z1、Z2、Z3、X、B、D、p、q、r和s如说明书和索赔中所述，以及其光学异构体、二对映异构体或对映体；药用盐、水合物和生物水解酯、酰胺或亚酰胺。还公开了包括式（I）配体的药物组合物，以及治疗由MC-4/MC-3受体介导的疾病的方法，如说明书的详细描述部分所述。
• Ester substituted aminoalkanoylureido amino and imino acid and ester
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04638010A1

  公开（公告）日：1987-01-20

  Compounds of the formula ##STR1## are disclosed. These compounds are useful as hypotensive agents due to their angiotensin converting enzyme inhibition activity and depending upon the definition of X may also be useful as analgesics due to their enkephalinase inhibition activity.

  本发明揭示了化学式##STR1##的化合物。这些化合物由于其抑制血管紧张素转化酶的活性而有用作降压剂，而根据X的定义，它们也可能由于其脑啡肽酶抑制活性而有用作镇痛剂。
• Ureidoalkanoylaminocarbonyl amino and imino acids and esters
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04740508A1

  公开（公告）日：1988-04-26

  Compounds of the formula ##STR1## are disclosed. These compounds are useful as hypotensive agents due to their angiotensin converting enzyme inhibition activity and depending upon the definition of X may also be useful as analgesics due to their enkephalinase inhibition activity.

  揭示了式##STR1##的化合物。由于其抑制血管紧张素转化酶的活性，这些化合物可用作降压剂，而根据X的定义，它们也可能由于其脑啡肽酶抑制活性而用作镇痛剂。
• Pichia pastoris formate dehydrogenase and uses therefor
  申请人：Goldberg L. Steven

  公开号：US20060100422A1

  公开（公告）日：2006-05-11

  This invention relates to a recombinant Pichia pastoris formate dehydrogenase (FDH) enzyme that catalyzes the oxidation of formate to carbon dioxide and the simultaneous reduction of nicotinamide adenine dinucleotide (NAD+) to its reduced form (NADH). Also related are isolated nucleic acids encoding P. pastoris FDH polypeptides, and fragments and variants thereof, as well as vectors and host cells comprising these nucleic acids. Further related are isolated, recombinant P. pastoris FDH polypeptides, and fragments and variants thereof, and antibodies that specifically bind to P. pastoris FDH polypeptides, fragments, or variants. The invention also relates to methods of obtaining isolated P. pastoris FDH nucleic acids, polypeptides, and antibodies, and methods of using P. pastoris FDH in various reactions for industrial or pharmaceutical applications.

  本发明涉及一种重组毕赤酵母甲酸脱氢酶（FDH）酶，该酶催化甲酸氧化为二氧化碳，同时还还原烟酰胺腺嘌呤二核苷酸（NAD+）为其还原形式（NADH）。本发明还涉及编码P. pastoris FDH多肽的分离核酸，以及其片段和变体，以及包含这些核酸的载体和宿主细胞。此外，本发明还涉及分离的重组P. pastoris FDH多肽，以及其片段和变体，以及特异性结合P. pastoris FDH多肽、片段或变体的抗体。本发明还涉及获得分离的P. pastoris FDH核酸、多肽和抗体的方法，以及在工业或制药应用中使用P. pastoris FDH的方法。