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(3S)-3-methyloxan-3-ol

中文名称
——
中文别名
——
英文名称
(3S)-3-methyloxan-3-ol
英文别名
——
(3S)-3-methyloxan-3-ol化学式
CAS
——
化学式
C6H12O2
mdl
——
分子量
116.16
InChiKey
JUQXHRNZEMUHEI-LURJTMIESA-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):
    0.1
  • 重原子数:
    8
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    29.5
  • 氢给体数:
    1
  • 氢受体数:
    2

文献信息

  • USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS
    申请人:Repare Therapeutics Inc.
    公开号:US20210177856A1
    公开(公告)日:2021-06-17
    Disclosed are methods of treating a cancer in a subject using an ATR inhibitor and PARP inhibitor. wherein the cancer has been previously identified as a cancer having a loss of function of ATM, BRCA2, RNAse H2A, RNAse H2B, CDK12, or a combination thereof, or as an ALT+ cancer. Also disclosed are methods of inducing cell death in an aberrant cancer cell having a loss of function of ATM, BRCA2, RNAse H2A, RNAse H2B, CDK12, or a combination thereof, or an ALT+ cancer cell, by contacting the cell with an effective amount of an ATR inhibitor and PARP inhibitor.
  • COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS
    申请人:Repare Therapeutics Inc.
    公开号:US20210277002A1
    公开(公告)日:2021-09-09
    Disclosed are compounds and pharmaceutically acceptable salts thereof that may be used in the treatment of subjects in need thereof. The compounds disclosed herein may be inhibitors of Ataxia-telangiectasia and RAD-3-related protein kinase (ATR). Also disclosed are pharmaceutical compositions containing the compounds or pharmaceutically acceptable salts thereof and methods of their preparation and use.
  • [EN] SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS<br/>[FR] DÉRIVÉS 2-MORPHOLINOPYRIDINE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE KINASES ATR
    申请人:REPARE THERAPEUTICS INC
    公开号:WO2021012049A1
    公开(公告)日:2021-01-28
    Disclosed are compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein — is a single bond, and each Y is N or CR4; or — is absent, and each Y is NRY, carbonyl, or C(RY)2, wherein each R1 is H or optionally substituted C1-6 alkyl; R1 is optionally substituted C1-6 alkyl or H; R3 is optionally substituted C1-9 heteroaryl or optionally substituted C1-9 heteroarylC1-6 alkyl; each R4 is hydrogen, halogen, optionally substituted C1-6 alkyl, optionally substituted C2-6 alkenyl, or optionally substituted C2-6 alkynyl; X is hydrogen or halogen; and R2 is as defined in claim 1. Also disclosed are pharmaceutical compositions containing the compounds of formula (I) and methods for their preparation. The compounds of formula (I) may be inhibitors of Ataxia-telangiectasia and RAD-3 -related protein kinase (ATR) and used for the treatment of diseases or conditions such as cancers.
  • [EN] USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS<br/>[FR] UTILISATION D'INHIBITEURS D'ATR EN ASSOCIATION AVEC DES INHIBITEURS DE PARP
    申请人:REPARE THERAPEUTICS INC
    公开号:WO2021119523A1
    公开(公告)日:2021-06-17
    Disclosed are methods of treating a cancer in a subject using an ATR inhibitor and PARP inhibitor, wherein the cancer has been previously identified as a cancer having a loss of function of ATM, BRCA2, RNAse H2A, RNAse H2B, CDK12, or a combination thereof, or as an ALT+ cancer. Also disclosed are methods of inducing cell death in an aberrant cancer cell having a loss of function of ATM, BRCA2, RNAse H2A, RNAse H2B, CDK12, or a combination thereof, or an ALT+ cancer cell, by contacting the cell with an effective amount of an ATR inhibitor and PARP inhibitor.
  • [EN] USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS FOR TREATING CANCER<br/>[FR] UTILISATION D'INHIBITEURS D'ATR EN ASSOCIATION AVEC DES INHIBITEURS DE PARP POUR LE TRAITEMENT DU CANCER
    申请人:[en]REPARE THERAPEUTICS INC.
    公开号:WO2022261777A1
    公开(公告)日:2022-12-22
    Disclosed are methods of treating a cancer and of inducing cell death in an aberrant cancel cell in a subject using a combination of an ATR inhibitor and PARP inhibitor, wherein the PARP inhibitor may be a compound of formula (III) or (IV), or a pharmaceutically acceptable salt thereof; and wherein the cancer/aberrant cell cancer has a loss of function of ATM, BRCA2, RNAse H2A, RNAse H2B and/or CDK12; or is an ALT+ cancer/cancer cell. In formula (III): X1and X2are each N or C(H); X3is N and C(R4), R4is H or fluoro; R1is C1-4alkyl or C1-4fluoroalkyl; R2is H, halo, C1-4alkyl, or C1-4fluoroalkyl; and R3is H or C1-4alkyl. In formula (IV): R1is H, C1-4alkyl, C3-6cycloalkyl, C1-4fluoroalkyl, and C1-4fliioroalkyloxy; R2is H, halo, C1-4alkyl, or C1-4fhioroalkyl; R3is H or C1-4alkyl; and R4is halo or C1-4alkyl.
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