摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

tetrahydro-2H-pyran-2-yl 2-phenylacetate

中文名称
——
中文别名
——
英文名称
tetrahydro-2H-pyran-2-yl 2-phenylacetate
英文别名
oxan-2-yl 2-phenylacetate
tetrahydro-2H-pyran-2-yl 2-phenylacetate化学式
CAS
——
化学式
C13H16O3
mdl
——
分子量
220.268
InChiKey
RKMOFJGUMBTDCZ-UHFFFAOYSA-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):
    2.6
  • 重原子数:
    16
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.46
  • 拓扑面积:
    35.5
  • 氢给体数:
    0
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    tetrahydro-2H-pyran-2-yl 2-phenylacetate 在 immobilized lipase from Candida antarctica B 、 三乙胺 作用下, 以 二氯甲烷 为溶剂, 反应 18.42h, 生成 1-[(4-methoxybenzyl)amino]-6-[(methylsulfonyl)oxy]-1-oxohexan-2-yl-2-phenylacetate
    参考文献:
    名称:
    从α-酰氧基酰胺到3-羟基-内酰胺的简便转化
    摘要:
    已开发出一种基于P-MCR的合成α-酰氧基酰胺,然后转化为相应的3-羟基-内酰胺的合成途径。已建立的规程已成功地用于合成3羟基内酰胺的五元,六元和七元环,这些环在合成生物活性化合物中起着至关重要的作用。
    DOI:
    10.1002/ejoc.201800605
  • 作为产物:
    描述:
    3,4-二氢-2H-吡喃苯乙酸4-甲基苯磺酸吡啶 作用下, 以335 mg的产率得到tetrahydro-2H-pyran-2-yl 2-phenylacetate
    参考文献:
    名称:
    从α-酰氧基酰胺到3-羟基-内酰胺的简便转化
    摘要:
    已开发出一种基于P-MCR的合成α-酰氧基酰胺,然后转化为相应的3-羟基-内酰胺的合成途径。已建立的规程已成功地用于合成3羟基内酰胺的五元,六元和七元环,这些环在合成生物活性化合物中起着至关重要的作用。
    DOI:
    10.1002/ejoc.201800605
点击查看最新优质反应信息

文献信息

  • [EN] CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UNE LIAISON ESTER OU CETONE, UTILISES COMME INHIBITEURS DE L'HISTONE DESACETYLASE
    申请人:TOPOTARGET UK LTD
    公开号:WO2004065354A1
    公开(公告)日:2004-08-05
    This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently: -O-C(=O)- or -C(=O)-O- or - C(=O)-; Cy is a cyclyl group and is independently: C3-20carbocyclyl, C3-20heterocyclyl, or C5-20aryl; and is optionally substituted; Q1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q2 is an acid leader group, and is independently: C1-8alkylene; and is optionally substituted; or: Q2 is an acid leader group, and is independently: C5-20arylene; C5-20arylene-C1-7alkylene; C1-7alkylene-C5-20arylene; or C1-7alkylene-C5-20arylene-C1-7alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC,and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.
    这项发明涉及某些具有以下式(I)的氨甲酸化合物,其抑制HDAC(组蛋白去乙酰化酶)活性:其中:J是一个连接的功能基团,独立地为:-O-C(=O)-或-C(=O)-O-或-C(=O)-;Cy是一个环烷基团,独立地为:C3-20碳环烷基、C3-20杂环烷基或C5-20芳基;并且可以选择性地被取代;Q1是一个环烷基领头基团,独立地是通过从具有4至7个环原子的饱和单环碳氢化合物的环碳原子中去除两个氢原子获得的双价双齿基团,或者通过从具有4至7个环原子,包括1个氮环原子或1个氧环原子的饱和单环杂环化合物的环碳原子中去除两个氢原子获得的双价双齿基团;并且可以选择性地被取代;Q2是一个酸领头基团,独立地为:C1-8烷基烯;并且可以选择性地被取代;或者:Q2是一个酸领头基团,独立地为:C5-20芳基烯;C5-20芳基烯-C1-7烷基烯;C1-7烷基烯-C5-20芳基烯;或C1-7烷基烯-C5-20芳基烯-C1-7烷基烯;并且可以选择性地被取代;以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包括这种化合物的药物组合物,以及在体内外使用这种化合物和组合物来抑制HDAC,并用于治疗由HDAC介导的疾病、癌症、增殖性疾病、牛皮癣等。
  • Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors
    申请人:Finn W Paul
    公开号:US20060058282A1
    公开(公告)日:2006-03-16
    This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently: —O—C(═O)— or —C(═O)—O— or —C(═O)—; Cy is a cyclyl group and is independently: C 3-20 carbocyclyl, C 3-20 heterocyclyl, or C 5-20 aryl; and is optionally substituted; Q 1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q 2 is an acid leader group, and is independently: C 1-8 alkylene; and is optionally substituted; or: Q 2 is an acid leader group, and is independently: C 5-20 arylene; C 5-20 arylene-C 1-7 alkylene; C 1-7 alkylene-C 5-20 arylene; or C 1-7 alkylene-C 5-20 arylene-C 1-7 alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.
    该发明涉及一类具有以下式子(I)的碳酰胺化合物,其抑制HDAC(组蛋白去乙酰化酶)活性:其中:J是连接功能基团,独立地为:—O—C(═O)—或—C(═O)—O—或—C(═O)—;Cy是环基团,独立地为:C3-20碳环基、C3-20杂环基或C5-20芳基;并且可以选择性地被取代;Q1是环基领导基团,独立地为从具有4至7个环原子的饱和单环烃或包括1个氮环原子或1个氧环原子的饱和单环杂环化合物的环碳原子上去除两个氢原子而得到的二价双齿基团;并且可以选择性地被取代;Q2是酸基领导基团,独立地为:C1-8烷基;并且可以选择性地被取代;或:Q2是酸基领导基团,独立地为:C5-20芳基、C5-20芳基-C1-7烷基、C1-7烷基-C5-20芳基或C1-7烷基-C5-20芳基-C1-7烷基;并且可以选择性地被取代;以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这样的化合物的制药组合物,以及这样的化合物和组合物的使用,无论是在体外还是体内,用于抑制HDAC,以及用于治疗由HDAC介导的疾病,如癌症、增生性疾病、牛皮癣等。
  • Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors
    申请人:Topotarget UK Limited
    公开号:US07465719B2
    公开(公告)日:2008-12-16
    This invention pertains to certain carbamic acid compounds of the formula (I), which inhibit HDAC (histone deacetylase) activity: wherein: J is a linking functional group and is independently:—O —C(═O)— or —C(═O)—O — or —C(═O)—; Cy is a cyclyl group and is independently: C3-20carbocyclyl, C3-20heterocyclyl, or C5-20aryl; and is optionally substituted; Q1 is a cyclyl leader group, and is independently a divalent bidentate group obtained by removing two hydrogen atoms from a ring carbon atom of a saturated monocyclic hydrocarbon having from 4 to 7 ring atoms, or by removing two hydrogen atoms from a ring carbon atom of saturated monocyclic heterocyclic compound having from 4 to 7 ring atoms including 1 nitrogen ring atom or 1 oxygen ring atom; and is optionally substituted; Q2 is an acid leader group, and is independently: C1-8alkylene; and is optionally substituted; or: Q2 is an acid leader group, and is independently: C5-20arylene; C5-20arylene-C1-7alkylene; C1-7alkylene-C5-20arylene; or C1-7alkylene-C5-20aryleneC1-7alkylene; and is optionally substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC,and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.
    本发明涉及一些具有以下化学式(I)的碳酰胺类化合物,其抑制HDAC(组蛋白去乙酰化酶)活性: 其中:J是连接功能基,独立地为:—O—C(═O)—或—C(═O)—O—或—C(═O)—;Cy是环烷基团,独立地为:C3-20碳环烷基、C3-20杂环烷基或C5-20芳基;并且可选择性地被取代;Q1是环烷基团,独立地为由饱和的单环烃类碳环原子上去除两个氢原子或由含有4至7个环原子的饱和单环杂环化合物的环碳原子上去除两个氢原子获得的二价双齿基团;并且可选择性地被取代;Q2是酸性基团,独立地为:C1-8烷基;并且可选择性地被取代;或:Q2是酸性基团,独立地为:C5-20芳基、C5-20芳基-C1-7烷基、C1-7烷基-C5-20芳基或C1-7烷基-C5-20芳基-C1-7烷基;并且可选择性地被取代;以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这种化合物的制药组合物以及在体内外中使用这种化合物和组合物来抑制HDAC,并用于治疗由HDAC介导的疾病,如癌症、增生性疾病、牛皮癣等。
  • CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS
    申请人:TopoTarget UK Limited
    公开号:EP1583736A1
    公开(公告)日:2005-10-12
  • US7465719B2
    申请人:——
    公开号:US7465719B2
    公开(公告)日:2008-12-16
查看更多

同类化合物

(3S,4R)-3-氟四氢-2H-吡喃-4-胺 鲁比前列素中间体 顺-4-(四氢吡喃-2-氧)-2-丁烯-1-醇 顺-3-Boc-氨基-四氢吡喃-4-羧酸 锡烷,三丁基[3-[(四氢-2H-吡喃-2-基)氧代]-1-炔丙基]- 蒜味伞醇B 蒜味伞醇A 茉莉吡喃 苄基2,3-二-O-乙酰基-4-脱氧-4-C-硝基亚甲基-β-D-阿拉伯吡喃果糖苷 膜质菊内酯 红没药醇氧化物A 科立内酯 甲磺酸酯-四聚乙二醇-四氢吡喃醚 甲基[(噁烷-3-基)甲基]胺 甲基6-氧杂双环[3.1.0]己烷-2-羧酸酯 甲基4-脱氧吡喃己糖苷 甲基2,4,6-三脱氧-2,4-二-C-甲基吡喃葡己糖苷 甲基1,2-环戊烯环氧物 甲基-[2-吡咯烷-1-基-1-(四氢-吡喃-4-基)-乙基]-胺 甲基-(四氢吡喃-4-甲基)胺 甲基-(四氢吡喃-2-甲基)胺盐酸盐 甲基-(四氢吡喃-2-甲基)胺 甲基-(四氢-吡喃-3-基-胺 甲基-(四氢-吡喃-3-基)-胺盐酸盐 甲基-(4-吡咯烷-1-甲基四氢吡喃-4-基)-胺 甲基(5R)-3,4-二脱氧-4-氟-5-甲基-alpha-D-赤式-吡喃戊糖苷 环氧乙烷-2-醇乙酸酯 环己酮,6-[(丁基硫代)亚甲基]-2,2-二甲基-3-[(四氢-2H-吡喃-2-基)氧代]-,(3S)- 环丙基-(四氢-吡喃-4-基)-胺 玫瑰醚 独一味素B 溴-六聚乙二醇-四氢吡喃醚 氯菊素 氯丹环氧化物 氨甲酸,[[(四氢-2H-吡喃-2-基)氧代]甲基]-,乙基酯 氧化氯丹 正-(四氢-4-苯基-2h-吡喃-4-基)乙酰胺 次甲霉素 A 桉叶油醇 抗-11-氧杂三环[4.3.1.12,5]十一碳-3-烯-10-酮 戊二酸二甲酯 恩洛铂 异丙基-(四氢吡喃-4-基)胺 四氢吡喃醚-二聚乙二醇 四氢吡喃酮 四氢吡喃-4-醇 四氢吡喃-4-肼二盐酸盐 四氢吡喃-4-羧酸甲酯 四氢吡喃-4-羧酸噻吩酯