2-isopropyl-3-methyl-butane-1,2-diol | 99799-78-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-isopropyl-3-methyl-butane-1,2-diol
• 英文别名: 2-Isopropyl-3-methyl-butan-1,2-diol；3-Methyl-2-propan-2-ylbutane-1,2-diol
• CAS: 99799-78-7
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: WPZKBFKHGKBLSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙醇酸乙酯 、 异丙基锂 在 乙醚 作用下， 生成 2-isopropyl-3-methyl-butane-1,2-diol
  参考文献：
  名称：

  The Hydrogen Bond. III. The Effect of the Size of Substituents upon the Length of the Hydrogen Bond in Various Substituted 1,2-Diols

  摘要：

  DOI：

  10.1021/ja01555a016

文献信息

• [EN] HETEROCYCLIC BORONIC ACID COMPOUNDS<br/>[FR] COMPOSÉS HETEROCYCLIQUES D'ACIDE BORONIQUE
  申请人：PHENOMIX CORP

  公开号：WO2005047297A1

  公开（公告）日：2005-05-26

  Dipeptidyl peptidase IV (DPP-IV)-inhibiting compounds are provided that have formula I: wherein n is 1 to 3; X is CH2; S; O; CF2 or C (CH3)2; Z is H; halogen; hydroxyl; (C1-6)alkoxy; (C1-12)alkyl; (C3-12)cycloalkyl; phenyl; or heteroaryl; where the phenyl and heteroaryl groups are optionally mono- or independently plurisubstituted with R7; optionally, X together with an adjacent ring carbon and Z form a fused cyclopropyl; and optionally, one of the bonds in the ring containing X is a double bond; and CriRii, R1, R1, R3, R4 and R5 are as described herein. Methods for preparing these compounds, and methods for treating diabetes, especially Type II diabetes, and other related diseases are described using the compounds of formula I in pharmaceutical compositions which contain these compounds. Pharmaceutical compositions which contain combinations of these compounds with other antidiabetic agents are also described herein.

  提供具有以下式I的二肽酶IV（DPP-IV）抑制化合物：其中n为1至3；X为CH2；S；O；CF2或C（CH3）2；Z为H；卤素；羟基；（C1-6）烷氧基；（C1-12）烷基；（C3-12）环烷基；苯基；或杂环芳基；其中苯基和杂环芳基可以选择性地为单取代或独立地多取代为R7；可选地，X与相邻环碳和Z一起形成融合的环丙基；并且可选地，含有X的环中的一个键为双键；以及CriRii，R1，R1，R3，R4和R5如本文所述。描述了制备这些化合物的方法，以及使用具有这些化合物的配方I中的药物组合来治疗糖尿病，特别是II型糖尿病，以及其他相关疾病的方法，这些药物组合包含这些化合物。还描述了含有这些化合物与其他抗糖尿病药物组合的药物组合。
• [EN] SYNTHESIS OF BORONATE SALTS AND USES THEREOF<br/>[FR] SYNTHÈSE DE SELS BORONATE ET UTILISATIONS DE CEUX-CI
  申请人：REMPEX PHARMACEUTICALS INC

  公开号：WO2015171430A1

  公开（公告）日：2015-11-12

  Disclosed herein are boronate intermediates in the synthesis of antimicrobial compounds and the use and preparation thereof. Some embodiments relate to crystalline boronate salt derivatives and their use in the synthesis of therapeutic compounds.

  本文披露了在合成抗微生物化合物过程中的硼酸酯中间体及其使用和制备。一些实施例涉及结晶硼酸盐衍生物及其在合成治疗化合物中的使用。
• PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV
  申请人：Campbell Alan David

  公开号：US20060264400A1

  公开（公告）日：2006-11-23

  The present invention is directed to pyrrolidinylaminoacetyl pyrrolidine boronic acid compounds that display selective, potent dipeptidyl peptidase IV inhibitory activity. These compounds are useful for the treatment of disorders that can be regulated or normalized via inhibition of DPP-IV including those characterized by impaired glycemic control such as Diabetes Mellitus and related conditions. The compounds can be administered alone or with another medicament that displays pharmacological activity for treatment of these and other diseases.

  本发明涉及一种具有选择性、强效二肽酶 IV 抑制活性的吡咯烷基氨基乙酰吡咯烷硼酸化合物。这些化合物可用于治疗可以通过抑制 DPP-IV 而被调节或规范的疾病，包括那些由糖尿病和相关疾病所表现的糖代谢控制受损的疾病。这些化合物可以单独或与另一种具有药理活性的药物一起用于治疗这些和其他疾病。
• COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV
  申请人：Campbell Alan David

  公开号：US20060276410A1

  公开（公告）日：2006-12-07

  Compounds that selectively inhibit dipeptidyl peptidase-IV over closely related dipeptidyl peptidases are those of Formula (I): as well as pharmaceutically acceptable salts thereof, cyclic isomers thereof, prodrugs thereof, and solvates thereof, where all the variables are defined herein. These compounds can be used, alone or in combination with other drugs, for the treatment of diabetes and related diseases.

  选择性抑制二肽基肽酶IV而不抑制密切相关的二肽基肽酶的化合物为公式(I)所示，以及其药学上可接受的盐、环异构体、前药和溶剂化物，其中所有变量均在此定义。这些化合物可以单独或与其他药物联合使用，用于治疗糖尿病和相关疾病。
• Heterocyclic boronic acid derivatives, dipeptidyl peptidase IV inhibitors
  申请人：Phenomix Corporation

  公开号：EP1743676A1

  公开（公告）日：2007-01-17

  Dipeptidyl peptidase IV (DPP-IV)-inhibiting compounds are provided that have formula I: wherein n is 1 to 3; X is CH2; S; O; CF2 or C(CH3)2; Z is H; halogen; hydroxyl; (C1-6)alkoxy; (C1-12)alkyl; (C3-12)cycloalkyl; phenyl; or heteroaryl; where the phenyl and heteroaryl groups are optionally mono- or independently plurisubstituted with R7; optionally, X together with an adjacent ring carbon and Z form a fused cyclopropyl; and optionally, one of the bonds in the ring containing X is a double bond; and CRiRii, R1, R2, R3, R4 and R5 are as described herein.

  提供了具有式 I 的二肽基肽酶 IV (DPP-IV) 抑制化合物： 其中 n 为 1 至 3；X 为 CH2；S；O；CF2 或 C(CH3)2；Z 为 H；卤素；羟基；(C1-6)烷氧基；(C1-12)烷基；(C3-12)环烷基；苯基；或杂芳基；其中苯基和杂芳基任选与 R7 单取代或独立地与 R7 复取代；任选地，X 与相邻环碳和 Z 一起形成融合环丙基；任选地，含有 X 的环中的一个键是双键；以及 CRiRii、R1、R2、R3、R4 和 R5 如本文所述。