chlorocarbonic acid-(1-isobutyl-3-methyl-butyl ester) | 173254-49-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: chlorocarbonic acid-(1-isobutyl-3-methyl-butyl ester)
• 英文别名: Chlorokohlensaeure-(1-isobutyl-3-methyl-butylester)；4-Chlorcarbonyloxy-2,6-dimethyl-heptan；2,6-dimethylheptan-4-yl chloroformate；2,6-Dimethylheptan-4-yl carbonochloridate
• CAS: 173254-49-4
• 化学式: C₁₀H₁₉ClO₂
• 分子量: 206.713
• InChiKey: RGAKDJWTQKHTOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chlorocarbonic acid-(1-isobutyl-3-methyl-butyl ester) 生成 carbamic acid-(1-isobutyl-3-methyl-butyl ester)
  参考文献：
  名称：

  The Preparation of Peptides Using Mixed Carbonic—Carboxylic Acid Anhydrides

  摘要：

  DOI：

  10.1021/ja01123a028
• 作为产物：
  描述：

  光气 、 二异丁基甲醇 在 吡啶 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 chlorocarbonic acid-(1-isobutyl-3-methyl-butyl ester)
  参考文献：
  名称：

  Design of small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.029

文献信息

• 2'-Cyanopyrimidine Nucleoside Compound
  申请人：Dohi Suguru

  公开号：US20100056466A1

  公开（公告）日：2010-03-04

  The present invention provides a pyrimidine nucleoside compound represented by the following formula (1): [wherein one of X and Y is cyano and the other is hydrogen; and i) R 1 is hydrogen, and R 2 is alkyloxycarbonyl wherein the alkyl moiety is straight or branched C 5-12 alkyl (the alkyl may be substituted), or alternatively, ii) R 1 is alkyloxycarbonyl wherein the alkyl moiety is straight or branched C 9 alkyl or alkenyloxycarbonyl wherein the alkenyl moiety is straight or branched C 9 alkenyl, and R 2 is hydrogen] or a salt thereof. The pyrimidine nucleoside compound or a salt thereof of the present invention shows a higher antitumor effect than existing pyrimidine nucleoside compounds.

  本发明提供了一种嘧啶核苷化合物，其由以下式子（1）表示：[其中X和Y中的一个是氰基，另一个是氢原子；i）R1为氢原子，R2为烷氧羰基，其中烷基是直链或支链C5-12烷基（烷基可以被取代），或者，ii）R1为烷氧羰基，其中烷基是直链或支链C9烷基或烯基氧羰基，其中烯基是直链或支链C9烯基，R2为氢原子]或其盐。本发明的嘧啶核苷化合物或其盐比现有的嘧啶核苷化合物具有更高的抗肿瘤效果。
• 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND
  申请人：DOHI Suguru

  公开号：US20100216736A2

  公开（公告）日：2010-08-26

  The present invention provides a pyrimidine nucleoside compound represented by the following formula (1): [wherein one of X and Y is cyano and the other is hydrogen; and i) R 1 is hydrogen, and R 2 is alkyloxycarbonyl wherein the alkyl moiety is straight or branched C 5-12 alkyl (the alkyl may be substituted), or alternatively, ii) R 1 is alkyloxycarbonyl wherein the alkyl moiety is straight or branched C 9 alkyl or alkenyloxycarbonyl wherein the alkenyl moiety is straight or branched C 9 alkenyl, and R 2 is hydrogen] or a salt thereof. The pyrimidine nucleoside compound or a salt thereof of the present invention shows a higher antitumor effect than existing pyrimidine nucleoside compounds.

  本发明提供了一种由以下式（1）表示的嘧啶核苷化合物：[其中X和Y中的一个是氰基，另一个是氢；i）R1是氢，R2是烷氧羰基，其中烷基是直链或支链C5-12烷基（烷基可以被取代），或者，ii）R1是烷氧羰基，其中烷基是直链或支链C9烷基或烯基氧羰基，其中烯基是直链或支链C9烯基，而R2是氢]或其盐。本发明的嘧啶核苷化合物或其盐比现有的嘧啶核苷化合物具有更高的抗肿瘤效果。
• US4061704A
  申请人：——

  公开号：US4061704A

  公开（公告）日：1977-12-06
• [EN] ACYCLIC ALIPHATIC BRANCHED ALKYL GROUPS AS CONSTITUENTS OF PROTECTIVE GROUPS BOUND TO SIDE CHAINS OF AMINO-ACID MOIETIES, AND THEIR USE IN THE PREPARATION OF PEPTIDE, POLYPEPTIDE OR PROTEIN STRUCTURES<br/>[FR] GROUPES ALKYLE RAMIFIES, ACYCLIQUES ET APLIPHATIQUES EN TANT QUE CONSTITUANTS DE GROUPES PROTECTEURS LIES A DES CHAINES LATERALES DE FRACTIONS AMINOACIDES ET LEUR UTILISATION DANS LA PREPARATION DE STRUCTURES DE PEPTIDES, DE POLYPEPTIDES OU DE PROTEINES
  申请人：——

  公开号：WO1995026975A1

  公开（公告）日：1995-10-12

  [EN] A protective group bound to a side chain of an amino-acid moiety, which group is an aliphatic acyclic branched alkyl group protecting a thiol, hydroxyl, or carboxyl group or an aliphatic acyclic branched alkoxycarbonyl group protecting an amino group or heterocyclic nitrogen, wherein the alkyl and alkoxy entities have from 6 to 18 carbon atoms and have at least two identical alkyl chains, is described. Further, the use of such a protective group bound to a side chain of an amino-acid moiety in the synthesis of peptides, polypeptides and proteins is disclosed.
  [FR] L'invention concerne un groupe protecteur lié à une chaîne latérale d'une fraction aminoacide et qui est un groupe alkyle ramifié, acyclique et aliphatique protégeant un groupe thiol, hydroxyle ou carboxyle ou un groupe alcoxycarbonyle ramifié, acyclique et aliphatique protégeant un groupe amino ou un azote hétérocyclique, les entités alkyle et alcoxy possédant de 6 à 18 atomes de carbone et au moins deux chaînes alkyle identiques. L'invention concerne, de plus, l'utilisation d'un tel groupe protecteur lié à une chaîne latérale d'une fraction aminoacide dans la synthèse de peptides, de polypeptides, et de protéines.