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3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoic acid | 870262-80-9

中文名称
——
中文别名
——
英文名称
3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoic acid
英文别名
3-(6-Chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoic acid
3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoic acid化学式
CAS
870262-80-9
化学式
C13H11ClO5S
mdl
——
分子量
314.746
InChiKey
ZBBROOUDWAFZRO-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
  • 重原子数:
    20
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.15
  • 拓扑面积:
    100
  • 氢给体数:
    2
  • 氢受体数:
    5

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

反应信息

  • 作为反应物:
    描述:
    5-methyl-2-(4-piperidinyl)-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoic acid1-羟基苯并三唑盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺三乙胺 作用下, 以 乙腈 为溶剂, 反应 5.0h, 以32%的产率得到2-(1-(3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl)piperidin-4-yl)-5-methyl-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one
    参考文献:
    名称:
    合成和2-代谢物的生物评价(1- {3 - [(6-氯萘-2-基)磺酰基]丙酰基}哌啶-4-基)-5-甲基-1,2-二氢-3 ħ -咪唑并[1,5 - c ]咪唑-3-一
    摘要:
    我们最近发现了咪唑并[1,5 - c ]咪唑-3-酮衍生物1作为有效,选择性和口服生物利用因子Xa(FXa)抑制剂。在这项研究中,我们合成了1的代谢物并评估了它们的生物活性。结果,我们确定了活性代谢物S -5和6具有与FX 1相当的有效FXa抑制活性,并且在猴子中具有良好的药代动力学特征。
    DOI:
    10.1016/j.bmc.2009.10.009
  • 作为产物:
    参考文献:
    名称:
    合成和2-代谢物的生物评价(1- {3 - [(6-氯萘-2-基)磺酰基]丙酰基}哌啶-4-基)-5-甲基-1,2-二氢-3 ħ -咪唑并[1,5 - c ]咪唑-3-一
    摘要:
    我们最近发现了咪唑并[1,5 - c ]咪唑-3-酮衍生物1作为有效,选择性和口服生物利用因子Xa(FXa)抑制剂。在这项研究中,我们合成了1的代谢物并评估了它们的生物活性。结果,我们确定了活性代谢物S -5和6具有与FX 1相当的有效FXa抑制活性,并且在猴子中具有良好的药代动力学特征。
    DOI:
    10.1016/j.bmc.2009.10.009
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文献信息

  • [EN] CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS<br/>[FR] DÉRIVÉS D'AMIDES CYCLIQUES ET LEUR PRODUCTION ET UTILISATION COMME AGENTS ANTITHROMBOTIQUES
    申请人:TAKEDA PHARMACEUTICAL
    公开号:WO2005113504A1
    公开(公告)日:2005-12-01
    The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y1 represents -C(O)-, -S(O)- or -S(O)2-, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X2 represents a bond or an optionally substituted lower alkylene, Y2 represents -C(O)-, -S(O)-, -S(O)2- or -C(=NR7)-, X3 represents an optionally substituted C1-4 alkylene or an optionally substituted C2-4 alkenylene, Z3 represents -N(R4)-, -O- or a bond, Z1 represents -C(R2)(R2')-, -N(R2)-, etc., and Z2 represents -C(R3)(R3')-, -N(R3)-, etc., or a salt thereof.
    本发明提供了一种环酰胺衍生物,可用作治疗血栓症的药物,其化学式为(I):其中R1代表一个可选择取代的环烃基或一个可选择取代的杂环基,W代表一个键或一个可选择取代的双价链烃基,a代表0、1或2,X1代表一个可选择取代的较低碳烷基或一个可选择取代的较低烯烃基,Y1代表-C(O)-、-S(O)-或-S(O)2-,A代表可能进一步取代的哌嗪环或可能进一步取代的哌啶环,X2代表一个键或一个可选择取代的较低碳烷基,Y2代表-C(O)-、-S(O)-、-S(O)2-或-C(=NR7)-,X3代表一个可选择取代的C1-4烷基或一个可选择取代的C2-4烯烃基,Z3代表-N(R4)-、-O-或一个键,Z1代表-C(R2)(R2')-、-N(R2)-等,Z2代表-C(R3)(R3')-、-N(R3)-等,或其盐。
  • Cyclic Amide Derivative, and Its Production and Use
    申请人:Kubo Keiji
    公开号:US20070244118A1
    公开(公告)日:2007-10-18
    The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I)-: wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.
    本发明提供了一种环酰胺衍生物,用作治疗血栓的药物,其化学式表示为(I)-:其中R1表示可选取代的环烃基或可选取代的杂环基,W表示键或可选取代的二价链烃基,a表示0、1或2,X1表示可选取代的较低烷基或可选取代的较低烯基,Y1表示—C(O)—、—S(O)—或—S(O)2—,A表示可进一步取代的哌嗪环或可进一步取代的哌啶环,X2表示键或可选取代的较低烷基,Y2表示—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—,X3表示可选取代的C1-4烷基或可选取代的C2-4烯基,Z3表示—N(R4)—、—O—或键,Z1表示—C(R2)(R2′)—、—N(R2)—等,Z2表示—C(R3)(R3′)—、—N(R3)—等,或其盐。
  • Imidazole derivative, process for producing the same, and use
    申请人:Kubo Keiji
    公开号:US20070004736A1
    公开(公告)日:2007-01-04
    There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents —CO—, —S(O)—, —S(O) 2 — or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z 1 and Z 3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z 2 represents —N(R 1 )—, —O—, —S(O)—, —S(O) 2 —, —CO—, —CH(R 1 )— or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R 1 to form an optionally substituted ring, and a represents 0, 1 or 2.
    提供了一种咪唑衍生物,用作治疗血栓的药物,其化学式表示为(I)式:其中R代表可选取代的环烃基或可选取代的杂环基,W代表键或可选取代的二价直链烃基,X代表可选取代的二价烃基,Y代表-CO-、-S(O)-、-S(O)2-或键,环A代表可选取代的吡咯烷环、可选取代的哌啶环或可选取代的过氢杂环己烷环,Z1和Z3独立地代表键或可选取代的二价直链烃基,Z2代表-N(R1)-、-O-、-S(O)-、-S(O)2-、-CO-、-CH(R1)-或键,环B代表可选取代的咪唑环,其中可选取代的咪唑环所具有的取代基可以与R1一起形成可选取代的环,a代表0、1或2。
  • Cyclic amide derivative, and its production and use
    申请人:Kubo Keiji
    公开号:US20080255352A1
    公开(公告)日:2008-10-16
    The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.
    本发明提供了一种用于治疗血栓症的环酰胺衍生物,其化学式表示为(I):其中,R1代表可选取代的环烃基或可选取代的杂环基,W代表键或可选取代的双价链烃基,a代表0、1或2,X1代表可选取代的较低烷基烯基或可选取代的较低烷基,Y1代表—C(O)—、—S(O)—或—S(O)2—,A代表可进一步取代的哌嗪环或可进一步取代的吡啶环,X2代表键或可选取代的较低烷基,Y2代表—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—,X3代表可选取代的C1-4烷基或可选取代的C2-4烯基,Z3代表—N(R4)—、—O—或键,Z1代表—C(R2)(R2′)—、—N(R2)—等,Z2代表—C(R3)(R3′)—、—N(R3)—等,或其盐。
  • CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE
    申请人:KUBO Keiji
    公开号:US20100160629A1
    公开(公告)日:2010-06-24
    The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.
    本发明提供了一种环酰胺衍生物,可用作治疗血栓症的药物,其化学式为(I),其中R1代表可选取代的环烃基或可选取代的杂环基,W代表键或可选取代的二价链烃基,a代表0、1或2,X1代表可选取代的较低烷基或可选取代的较低烯基,Y1代表—C(O)—、—S(O)—或—S(O)2—,A代表可能进一步取代的哌嗪环或可能进一步取代的哌啶环,X2代表键或可选取代的较低烷基,Y2代表—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—,X3代表可选取代的C1-4烷基或可选取代的C2-4烯基,Z3代表—N(R4)—、—O—或键,Z1代表—C(R2)(R2′)—、—N(R2)—等,Z2代表—C(R3)(R3′)—、—N(R3)—等,或其盐。
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