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5-((1S)-2-(tert-butyldimethylsiloxy)-1-methylethoxy)-3-(4-methanesulfonylphenoxy)benzoic acid methyl ester | 752242-47-0

中文名称
——
中文别名
——
英文名称
5-((1S)-2-(tert-butyldimethylsiloxy)-1-methylethoxy)-3-(4-methanesulfonylphenoxy)benzoic acid methyl ester
英文别名
methyl 3-((1S)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethoxy)-5-[4-(methylsulfonyl)phenoxy]-benzoate;methyl 3-((1S)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethoxy)-5-[4-(methylsulfonyl)phenoxy]benzoate;methyl 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoate
5-((1S)-2-(tert-butyldimethylsiloxy)-1-methylethoxy)-3-(4-methanesulfonylphenoxy)benzoic acid methyl ester化学式
CAS
752242-47-0
化学式
C24H34O7SSi
mdl
——
分子量
494.681
InChiKey
GUSJTKONMKHABK-KRWDZBQOSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.46
  • 重原子数:
    33
  • 可旋转键数:
    11
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.46
  • 拓扑面积:
    96.5
  • 氢给体数:
    0
  • 氢受体数:
    7

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    5-((1S)-2-(tert-butyldimethylsiloxy)-1-methylethoxy)-3-(4-methanesulfonylphenoxy)benzoic acid methyl ester 在 lithium hydroxide 、 作用下, 以 四氢呋喃 为溶剂, 反应 3.5h, 以71%的产率得到3-((1S)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethoxy)-5-[4-(methylsulfonyl)phenoxy]-benzoic acid
    参考文献:
    名称:
    [EN] HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES
    [FR] DERIVES D'HETEROARYL-BENZAMIDE UTILISABLES EN TANT QU'ACTIVATEURS DE LA GLK DANS LE TRAITEMENT DU DIABETE
    摘要:
    式(I)的化合物,其中:R1是羟甲基;R2选择自-C(O)NR4R5,SO2NR4R5,S(O)pR4和HET-2;HET-1是一个5-或6-成员的、可选择取代的C-连接杂芳基环;HET-2是一个4-、5-或6-成员的、可选择取代的C-或N-连接的杂环基环;R3选择自卤素、氟甲基、二氟甲基、三氟甲基、甲基、甲氧基和氰基;R4选择自例如氢、可选择取代的(1-4C)烷基和HET-2;R5是氢或(1-4C)烷基;或R4和R5与它们连接的氮原子一起可形成由HET-3定义的杂环基环系统;HET-3例如是一个可选择取代的N-连接的、4、5或6成员的、饱和或部分不饱和的杂环基环;p是(每次独立)0、1或2;m是0或1;n是0、1或2;但是当m为0时,n为1或2;或其盐、前药或溶剂化合物。描述了它们作为GLK激活剂的用途、含有它们的制药组合物以及它们的制备方法。
    公开号:
    WO2005121110A1
  • 作为产物:
    描述:
    参考文献:
    名称:
    [EN] HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES
    [FR] DERIVES D'HETEROARYL-BENZAMIDE UTILISABLES EN TANT QU'ACTIVATEURS DE LA GLK DANS LE TRAITEMENT DU DIABETE
    摘要:
    式(I)的化合物,其中:R1是羟甲基;R2选择自-C(O)NR4R5,SO2NR4R5,S(O)pR4和HET-2;HET-1是一个5-或6-成员的、可选择取代的C-连接杂芳基环;HET-2是一个4-、5-或6-成员的、可选择取代的C-或N-连接的杂环基环;R3选择自卤素、氟甲基、二氟甲基、三氟甲基、甲基、甲氧基和氰基;R4选择自例如氢、可选择取代的(1-4C)烷基和HET-2;R5是氢或(1-4C)烷基;或R4和R5与它们连接的氮原子一起可形成由HET-3定义的杂环基环系统;HET-3例如是一个可选择取代的N-连接的、4、5或6成员的、饱和或部分不饱和的杂环基环;p是(每次独立)0、1或2;m是0或1;n是0、1或2;但是当m为0时,n为1或2;或其盐、前药或溶剂化合物。描述了它们作为GLK激活剂的用途、含有它们的制药组合物以及它们的制备方法。
    公开号:
    WO2005121110A1
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文献信息

  • Heteroarylcarbamoylbenzene derivative
    申请人:IIno Tomoharu
    公开号:US20060167053A1
    公开(公告)日:2006-07-27
    Compounds represented by formula (I): as well as their pharmaceutically acceptable salts are disclosed. The compounds are useful as glucokinase activating agents for the treatment of diabetes and related conditions. Compositions and methods of treatment are also included.
    公式(I)所代表的化合物及其药学上可接受的盐被披露。这些化合物可用作激活葡萄糖激酶的药剂,用于治疗糖尿病及相关疾病。还包括治疗组合物和方法。
  • Heteroarylcarbamoylbenzene derivatives
    申请人:Iino Tomoharu
    公开号:US20090018056A1
    公开(公告)日:2009-01-15
    Compounds having glucokinase activating effects and being useful as treatments for diabetes, which are represented by the following formula (I): [wherein X 1 represents oxygen, etc., X 2 represents oxygen, etc., R 1 represents a group on Ring A such as alkylsulfonyl, etc., R 2 represents C3-7 cyclic alkyl optionally substituted with a halogen, etc., R 3 represents a substituent on Ring B such as lower alkyl, etc., formula (II): [Chemical Formula 1] represents 6- to 10-membered aryl, etc., and formula (III): [Formula 1] represents monocyclic or bicyclic heteroaryl optionally having on Ring B a substituent represented by R 3 above, wherein the carbon atom of Ring B which is bonded to the nitrogen atom of the amide group of formula (I) forms a C═N bond with the nitrogen atom of the ring], as well as their pharmaceutically acceptable salts.
    具有激活葡萄糖激酶效果且可用作糖尿病治疗的化合物,其化学式如下(I):[其中X1代表氧等,X2代表氧等,R1代表环A上的基团,例如烷基磺酰等,R2代表C3-7环状烷基,可选择地被卤素等取代,R3代表环B上的取代基,例如低烷基等,化学式(II):[化学式1]代表6到10成员芳基等,化学式(III):[化学式1]代表单环或双环杂芳基,可选择地在环B上具有由上述R3代表的取代基,其中环B的碳原子与化学式(I)的酰胺基团的氮原子形成C═N键与环的氮原子结合],以及其药学上可接受的盐。
  • Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes
    申请人:Johnstone Craig
    公开号:US20090253676A1
    公开(公告)日:2009-10-08
    Compounds of Formula (I): wherein: R 1 is hydroxymethyl; R 2 is selected from —C(O)NR 4 R 5 , —SO 2 NR 4 R 5 , —S(O) p R 4 and HET-2; HET-1 is a 5- or 6-membered, optionally substituted C-linked heteroaryl ring; HET-2 is a 4-, 5- or 6-membered, C- or N-linked optionally substituted heterocyclyl ring; R 3 is selected from halo, fluoromethyl, difluoromethyl, trifluoromethyl, methyl, methoxy and cyano; R 4 is selected from for example hydrogen, optionally substituted (1-4C)alkyl and HET-2; R 5 is hydrogen or (1-4C)alkyl; or R 4 and R 5 together with the nitrogen atom to which they are attached may form a heterocyclyl ring system as defined by HET-3; HET-3 is for example an optionally substituted N-linked, 4, 5 or 6 membered, saturated or partially unsaturated heterocyclyl ring; p is (independently at each occurrence) 0, 1 or 2; m is 0 or 1; n is 0, 1 or 2; provided that when m is 0, then n is 1 or 2; or a salt, pro-drug or solvate thereof, are described. Their use as GLK activators, pharmaceutical compositions containing them, and processes for their preparation are also described.
    化学式(I)的化合物:其中:R1为羟甲基;R2选自- C(O)NR4R5,-SO2NR4R5,-S(O)pR4和HET-2; HET-1为5-或6-成员的,可选择性取代C-连接的杂芳基环;HET-2为4-,5-或6-成员的,C-或N-连接的可选择性取代杂环烷基环;R3选自卤素,氟甲基,二氟甲基,三氟甲基,甲基,甲氧基和氰基;R4选自例如氢,可选择性取代的(1-4C)烷基和HET-2;R5为氢或(1-4C)烷基;或R4和R5与它们所附着的氮原子一起可以形成由HET-3定义的杂环烷基环系统;HET-3例如为可选择性取代的N-连接,4、5或6成员的,饱和或部分不饱和的杂环烷基环;p为(每次独立)0、1或2;m为0或1;n为0、1或2;但当m为0时,则n为1或2;或其盐、前药或溶剂。还描述了它们作为GLK激活剂的用途、含有它们的制药组合物以及它们的制备方法。
  • Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes
    申请人:Johnstone Craig
    公开号:US20080015203A1
    公开(公告)日:2008-01-17
    Compounds of Formula (I) wherein: R 1 is hydroxymethyl; R 2 is selected from —C(O)NR 4 R 5 , SO 2 NR 4 R 5 , S(O) p R 4 and HET-2; HET-1 is a 5- or 6-membered, optionally substituted C-linked heteroaryl ring; HET-2 is a 4-, 5- or 6-membered, C- or N-linked optionally substituted heterocyclyl ring; R 3 is selected from halo, fluoromethyl, difluoromethyl, trifluoromethyl, methyl, methoxy and cyano; R 4 is selected from for example hydrogen, optionally substituted (1-4C)alkyl and HET-2; R 5 is hydrogen or (1-4C)alkyl; or R 4 and R 5 together with the nitrogen atom to which they are attached may form a heterocyclyl ring system as defined by HET-3; HET-3 is for example an optionally substituted N-linked, 4, 5 or 6 membered, saturated or partially unsaturated heterocyclyl ring; p is (independently at each occurrence) 0, 1 or 2; m is 0 or 1; n is 0, 1 or 2; provided that when m is 0, then n is 1 or 2; or a salt, pro drug or solvate thereof, are described. Their use as GLK activators, pharmaceutical compositions containing them, and processes for their preparation are also described.
    化合物的公式(I),其中:R1为羟甲基;R2选自—C(O)NR4R5,SO2NR4R5,S(O)pR4和HET-2;HET-1为5-或6-成员的、可选地取代的C-连接杂芳基环;HET-2是4-、5-或6-成员的、可选地取代的杂环基环,可以是C-或N-连接;R3选自卤素、氟甲基、二氟甲基、三氟甲基、甲基、甲氧基和氰基;R4选自例如氢、可选地取代的(1-4C)烷基和HET-2;R5为氢或(1-4C)烷基;或者R4和R5与它们连接的氮原子一起可以形成由HET-3定义的杂环基环系统;HET-3例如为可选地取代的N-连接的、4、5或6成员的、饱和或部分不饱和的杂环基环;p是(每次独立地)0、1或2;m是0或1;n是0、1或2;但是当m为0时,n为1或2;或其盐、前药或溶剂。还描述了它们作为GLK激活剂的用途、包含它们的制药组合物以及它们的制备方法。
  • Heteroaryl benzamide derivatives as GLK activators
    申请人:AstraZeneca AB
    公开号:US07745475B2
    公开(公告)日:2010-06-29
    Compounds of Formula (I) wherein: R1 is hydroxymethyl; R2 is selected from —C(O)NR4R5, SO2NR4R5, S(O)pR4 and HET-2; HET-1 is a 5- or 6-membered, optionally substituted C-linked heteroaryl ring; HET-2 is a 4-, 5- or 6-membered, C- or N-linked optionally substituted heterocyclyl ring; R3 is selected from halo, fluoromethyl, difluoromethyl, trifluoromethyl, methyl, methoxy and cyano; R4 is selected from for example hydrogen, optionally substituted (1-4C)alkyl and HET-2; R5 is hydrogen or (1-4C)alkyl; or R4 and R5 together with the nitrogen atom to which they are attached may form a heterocyclyl ring system as defined by HET-3; HET-3 is for example an optionally substituted N-linked, 4, 5 or 6 membered, saturated or partially unsaturated heterocyclyl ring; p is (independently at each occurrence) 0, 1 or 2; m is 0 or 1; n is 0, 1 or 2; provided that when m is 0, then n is 1 or 2; or a salt, pro drug or solvate thereof, are described. Their use as GLK activators, pharmaceutical compositions containing them, and processes for their preparation are also described.
    化合物的公式(I),其中:R1为羟甲基;R2选自—C(O)NR4R5,SO2NR4R5,S(O)pR4和HET-2;HET-1为5-或6-成员的,可选地取代的C-连接的杂芳基环;HET-2为4-、5-或6-成员的,C-或N-连接的可选地取代的杂环基环;R3选自卤素,氟甲基,二氟甲基,三氟甲基,甲基,甲氧基和氰基;R4选自例如氢,可选地取代的(1-4C)烷基和HET-2;R5为氢或(1-4C)烷基;或R4和R5与它们连接的氮原子一起可以形成由HET-3定义的杂环基环系统;HET-3例如为可选地取代的N-连接的,4、5或6成员的,饱和或部分不饱和的杂环基环;p为(每次独立)0、1或2;m为0或1;n为0、1或2;但当m为0时,n为1或2;或其盐、前药或溶剂。还描述了它们作为GLK激活剂的用途,包含它们的制药组合物以及它们的制备方法。
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同类化合物

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