N-((tetrahydrofuran-2-yl)methyl)acrylamide | 112096-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: N-((tetrahydrofuran-2-yl)methyl)acrylamide
• 英文别名: N-[(Oxolan-2-yl)methyl]prop-2-enamide；N-(oxolan-2-ylmethyl)prop-2-enamide
• CAS: 112096-85-2
• 化学式: C₈H₁₃NO₂
• 分子量: 155.197
• InChiKey: KPEKHIHQXHOSRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] COMPOSITONS AND METHODS FOR MODULATING UBA5<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE MODULATION D'UBA5
  申请人：UNIV CALIFORNIA

  公开号：WO2018144869A1

  公开（公告）日：2018-08-09

  Disclosed herein, inter alia, are compositions and methods useful for inhibiting ubiquitin-like modifier activating enzyme 5.

  在此披露的是用于抑制泛素样修饰激活酶5的组合物和方法。
• [EN] COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A<br/>[FR] COMPOSITIONS ET MÉTHODES PERMETTANT DE MODULER LE PPP2R1A
  申请人：UNIV CALIFORNIA

  公开号：WO2018144871A1

  公开（公告）日：2018-08-09

  Disclosed herein, inter alia, are compositions and methods useful for modulating PPP2R1 A and for the treatment of cancer.

  本文披露了用于调节PPP2R1 A并用于癌症治疗的组合物和方法。
• [EN] DENTAL COMPOSITION<br/>[FR] COMPOSITION DENTAIRE
  申请人：DENTSPLY DETREY GMBH

  公开号：WO2014067666A1

  公开（公告）日：2014-05-08

  A composition comprising a polymerizable compound of the following formula (I) A is a group of the following formula (II) wherein X1 is CO or CS; X2 is a single bond, CO, CS, CH2, or a group Z[X'Z']k, wherein X' is an oxygen atom, a sulfur atom or NR, (wherein R is a hydrogen atom, a straight chain or branched C1-16 alkyl group which may be substituted by a C3-6 cycloalkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -0-PO3M2 or -SO3M, a C3-6 cycloalkyl group which may be substituted by a C1-16 alkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -0-PO3M2 or -SO3M, a C6-14 aryl or C3-14 heteroaryl group which may be substituted by -COOM, -PO3M, -O-PO3M2 or -SO3M), Z is a straight chain or branched C1-4 alkylene group, Z' is a bond, a straight chain or branched C1-4 alkylene group, and k is an integer of from 1 to 50; is a monocylic, bicyclic or tricyclic cycloalkyl group having 3 to 20 carbon atoms or a monocylic, bicyclic or tricyclic heterocycloalkyi group having 2 to 20 carbon atoms and 1 to 4 heteroatoms selected from oxygen, sulfur and nitrogen atoms, which groups may be substituted with 1 to 3 groups selected from a C1-16 alkyl group, - COOM, -PO3M, -O-PO3M2 or -SO3M; R1 is a hydrogen atom, -COOM, a straight chain or branched C1-16 alkyl group which may be substituted by a C3-6 cycloalkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or -SO3M, a C3-6 cycloalkyl group which may be substituted by a C1-16 alkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or -SO3M, a C6-14 aryl or C3-14 heteroaryl group which may be substituted by -COOM, -PO3M, - O-PO3M2 or -SO3M, R2 is a hydrogen atom, -COOM, a straight chain or branched C1-16 alkyl group which may be substituted by a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 and -SO3M, a C3-6 cycloalkyl group which may be substituted by a C1-16 alkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or -SO3M, or a C6-14 aryl or C3-14 heteroaryl group which may be substituted by -COOM, -PO3M, - O-PO3M2 and -SO3M, L is a single bond or an (n+1 ) -valent linker group; B independently is a group according to the definition of A, a group of the following formula (III) wherein X1 independently has the same meaning as defined for X1 in formula (II), CH2, or a group [X'Z]k, wherein X' is an oxygen atom, a sulfur atom or NH, Z is a straight chain or branched C1-4 alkylene group, and k' is an integer of from 1 to 50; R1 and R2 are independent from each other and independently have the same meaning as defined for formula (II), a group of the following formula (IV) wherein X2 independently has the same meaning as defined for X1 in formula (III) wherein X1 independently has the same meaning as defined for X1 in formula (II), CH2, or a group [X'Z]k', wherein X' is an oxygen atom, a sulfur atom or NH, Z is a straight chain or branched C1-4 alkylene group, and k' is an integer of from 1 to 50; R1 and R2 are independent from each other and independently have the same meaning as defined for formula (II), R is a hydrogen atom, a straight chain or branched C1-16 alkyl group which may be substituted by a C3-6 cycloalkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or -SO3M, a C3-6 cycloalkyl group which may be substituted by a C1-16 alkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O- PO3M2 or -SO3M, a C6-14 aryl or C3-14 heteroaryl group which may be substituted by - COOM, -PO3M, -O-PO3M2 or -SO3M, a group of the following formula (V) wherein X3 is CH2, CO, -CH2CO-, CS, or -CH2CS-, R1 and R2 which are independent from each other and independently have the same meaning as defined for formula (II), or a group [ Z'X"]mE, wherein Z' is a straight chain or branched C1-4 alkylene group, X" is an oxygen atom, a sulfur atom or NR, (wherein R is a hydrogen atom, a straight chain or branched C1-16 alkyl group which may be substituted by a C3-6 cycloalkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or -SO3M, a C3-6 cycloalkyl group which may be substituted by a C1-16 alkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or-SO3M, a C6-14 aryl or C3-14 heteroaryl group which may be substituted by -COOM, - PO3M, -O-PO3M2 or -SO3M), E is a hydrogen atom, PO3M2, a straight chain or branched C1-16 alkyl group which may be substituted by a C3-6 cycloalkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O-PO3M2 or -SO3M, a C3-6 cycloalkyl group which may be substituted by a C1-16 alkyl group, a C6-14 aryl or C3-14 heteroaryl group, -COOM, -PO3M, -O- PO3M2 or -SO3M, a C6-14 aryl or C3-14 heteroaryl group which may be substituted by - COOM, -PO3M, -O-PO3M2 or -SO3M, and m is an integer of from 1 to 10; and n is an integer of from from 1 to 6; wherein M which are independent from each other each represent a hydrogen atom or a metal atom; provided that in case L is a single bond, B cannot be a group according to the definition of A or a group of the formula (III) or (IV).

  一种组合物，包括下式（I）的可聚合化合物，其中A是下式（II）的基团，其中X1是CO或CS；X2是单键，CO，CS，CH2或组Z[X'Z']k，其中X'是氧原子，硫原子或NR（其中R是氢原子，直链或支链C1-16烷基，可被C3-6环烷基，C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-0-PO3M2或-SO3M，可被C1-16烷基取代的C3-6环烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-0-PO3M2或-SO3M，可被-COOM，-PO3M，-O-PO3M2或-SO3M取代的C6-14芳基或C3-14杂芳基），Z是直链或支链C1-4亚烷基，Z'是键，直链或支链C1-4亚烷基，k是1至50的整数；是具有3至20个碳原子的单环、双环或三环环烷基或具有2至20个碳原子和1至4个氧、硫和氮原子中选择的杂原子的单环、双环或三环杂环烷基，这些基团可以被1至3个C1-16烷基，-COOM，-PO3M，-O-PO3M2或-SO3M取代；R1是氢原子，-COOM，可被C3-6环烷基取代的直链或支链C1-16烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被C1-16烷基取代的C3-6环烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被-COOM，-PO3M，-O-PO3M2或-SO3M取代的C6-14芳基或C3-14杂芳基，R2是氢原子，-COOM，可被C6-14芳基或C3-14杂芳基取代的直链或支链C1-16烷基，-COOM，-PO3M，-O-PO3M2和-SO3M，可被C1-16烷基取代的C3-6环烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被-COOM，-PO3M，-O-PO3M2或-SO3M取代的C6-14芳基或C3-14杂芳基，L是单键或（n+1）-价连接基团；B独立地是A定义的基团，下式（III）的基团，其中X1独立地具有与式（II）中定义的X1相同的含义，CH2或组[X'Z]k'，其中X'是氧原子，硫原子或NH，Z是直链或支链C1-4亚烷基，k'是1至50的整数；R1和R2彼此独立并且独立地具有与式（II）中定义的相同含义，下式（IV）的基团，其中X2独立地具有与式（III）中定义的X1相同的含义，其中X1独立地具有与式（II）中定义的X1相同的含义，CH2或组[X'Z]k'，其中X'是氧原子，硫原子或NH，Z是直链或支链C1-4亚烷基，k'是1至50的整数；R1和R2彼此独立并且独立地具有与式（II）中定义的相同含义，R是氢原子，可被C3-6环烷基取代的直链或支链C1-16烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被C1-16烷基取代的C3-6环烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被-COOM，-PO3M，-O-PO3M2或-SO3M取代的C6-14芳基或C3-14杂芳基，下式（V）的基团，其中X3是CH2，CO，-CH2CO-，CS或-CH2CS-，R1和R2彼此独立并且独立地具有与式（II）中定义的相同含义，或组[Z'X"]mE，其中Z'是直链或支链C1-4亚烷基，X"是氧原子，硫原子或NR（其中R是氢原子，直链或支链C1-16烷基，可被C3-6环烷基，C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被C1-16烷基取代的C3-6环烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被-COOM，-PO3M，-O-PO3M2或-SO3M取代的C6-14芳基或C3-14杂芳基），E是氢原子，PO3M2，可被C3-6环烷基取代的直链或支链C1-16烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被C1-16烷基取代的C3-6环烷基，可被C6-14芳基或C3-14杂芳基取代，-COOM，-PO3M，-O-PO3M2或-SO3M，可被-COOM，-PO3M，-O-PO3M2或-SO3M取代的C6-14芳基或C3-14杂芳基，m是1至10的整数；n是1至6的整数；其中M互相独立地表示氢原子或金属原子；但是，如果L是单键，则B不能是A定义的基团或式（III）或（IV）的基团。
• Dental composition
  申请人：DENTSPLY DETREY GmbH

  公开号：EP2727576A1

  公开（公告）日：2014-05-07

  Dental composition comprising a polymerizable compound of the following formula (I):          A-L(B)n     (I) wherein A, L, B and n are as defined in claim 1.

  含有以下公式(I)的可聚合化合物的牙科组合物：        A-L(B)n     (I)，其中A、L、B和n如权利要求1所定义。
• Acyclic amide and sulfonamide ligands for the estrogen receptor
  申请人：Pfizer Inc

  公开号：US20040110767A1

  公开（公告）日：2004-06-10

  The present invention provides estrogen receptor (ER) ligands of structural formula (I) 1 the pharmaceutically acceptable salts, stereoisomers, and prodrugs thereof, and the pharmaceutically acceptable salts of the prodrugs, wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, and Q are as defined herein. The invention further provides pharmaceutical compositions comprising the compounds of formula (I), and methods for treating or preventing diseases, disorders, conditions, or symptoms mediated by an ER which comprise administering to a mammalian subject in need of treatment therewith, an effective amount of a compound of formula (I), or a pharmaceutically acceptable salt, stereoisomer, or prodrug thereof, or a pharmaceutically acceptable salt of the prodrug, or a pharmaceutical composition comprising a compound of formula (I), or a pharmaceutically acceptable salt, stereoisomer, or prodrug thereof, or a pharmaceutically acceptable salt of the prodrug. The invention further provides pharmaceutical compositions comprising combinations of the compounds of formula (I) and one or more of sodium fluoride, estrogen, a bone anabolic agent, a growth hormone or growth hormone secretagogue, a prostaglandin agonist/antagonist, and a parathyroid hormone, and methods of treating or preventing diseases, disorders, conditions, or symptoms mediated by an ER comprising the administration of an effective amount of such combination to a mammalian subject in need of treatment therewith.

  本发明提供了结构式(I)的雌激素受体（ER）配体，其包括其药学上可接受的盐、立体异构体和前药，以及前药的药学上可接受的盐，其中R1、R2、R3、R4、R5、X和Q如本文所定义。本发明还提供了包括式(I)化合物的制药组合物以及治疗或预防由ER介导的疾病、失调、症状或症状的方法，该方法包括向需要治疗的哺乳动物主体中给予式(I)化合物的有效量，或其药学上可接受的盐、立体异构体或前药，或前药的药学上可接受的盐，或包括式(I)化合物的制药组合物，或其药学上可接受的盐、立体异构体或前药，或前药的药学上可接受的盐。本发明还提供了包括式(I)化合物和一种或多种氟化钠、雌激素、骨质增生剂、生长激素或生长激素分泌素、前列腺素激动剂/拮抗剂和甲状旁腺激素的制药组合物，以及通过向需要治疗的哺乳动物主体中给予该组合物的有效量来治疗或预防由ER介导的疾病、失调、症状或症状的方法。