5,5-Dimethyl-3-oxo-hexanoic acid | 67354-39-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 5,5-Dimethyl-3-oxo-hexanoic acid
• 英文别名: 5,5-Dimethyl-3-oxohexanoic acid
• CAS: 67354-39-6
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: XBPWGAPGJXFEJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-2-amino-3-benzyloxycarbonylamino-propionic acid methyl ester 、 5,5-Dimethyl-3-oxo-hexanoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N³-Benzyloxycarbonyl-N²-(5,5-dimethyl-3-oxohexanoyl)-2,3-diaminopropionsaeuremethylester
  参考文献：
  名称：

  The total synthesis of the antibiotic malonomicin (k16)

  摘要：

  DOI：

  10.1016/s0040-4020(01)93609-9

文献信息

• [EN] MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] INHIBITEURS DE METALLOPROTEINASES MATRICIELLES
  申请人：GLAXO GROUP LTD

  公开号：WO2005026120A1

  公开（公告）日：2005-03-24

  Compounds of Formula (I): Wherein: A represents bond, C1-6alkyl or CH=CH-C1-4alkyl; B represents bond, O, S, SO, SO2, CO, CR7R8, CO2R14, CONR14R15, N(COR14)(COR15), N(SO2R14)(COR15) or NR14R15; D represents bond, or C1-6alkyl; E represents substituted aryl or substituted or unsubstituted heteroaryl; Q represents an optionally substituted 5- or 6-membered aryl or heteroaryl ring; X represents O, S, SO, SO2, CO, CNR5, CNOR5, CNNR5R6, NR11 or CR7R8; Y represents CR5OR11, CR5SR11, NOR5, CR5NR6R11, SO, SO2, CO, CNR5, CNOR5 or CS; R1 and R1' each independently represents H, C1-6alkyl or C1-4alkylaryl; R2 represents CO2R12, CH2OR12 or CONR12R13, CONR12OR13, NR12COR13, SR12, PO(OH)2, PONHR12 or SONHR12; R3 represents H, C1-6alkyl or C1-4alkylaryl; R4 represents optionally substituted aryl or heteroaryl; Z represents a bond, CH2, O, S, SO, SO2, NR5, OCR5R6, CR9R10O or Z, R4 and Q together form an optionally substituted fused tricyclic group; R5 and R6 each independently represent H, C1-6 alkyl or C1-4 alkylaryl; R7 and R8 each independently represent H, halo, C1-6 alkyl or C1-4 alkylaryl; R9 and R10 each independently represents H, C1-6 alkyl optionally substituted by halo, cyano, OR11 or NR6R11 , C1-4 alkylaryl optionally substituted by halo, cyano, OR11 or NR6R11, OR11 or, together with the N to which they are attached, R9 and R10 form a heterocyclic group: R11 represents H, C1-6 alkyl, C1-4 alkylaryl or COR5; R12 and R13 each independently represent H, C1-3 alkyl, C1-3 alkylaryl or C1-3 alkylheteroaryl or, together with the functionality to which they are attached, R12 and R13 form a heterocyclic group: R14 and R15 each independently represent H, C1-6 alkyl, C1-4 alkylaryl or C1-4 alkylheteroaryl or together with the functionality to which they are attached R14 and R15 form a heterocyclic or fused heterocyclic group: and physiologically functional derivatives thereof, processes for their preparation, pharmaceutical formulations containing them and their use as inhibitors of matrix metallproteinase enzymes (MMPs) are described.

  式(I)的化合物：其中：A代表键，C1-6烷基或CH=CH-C1-4烷基；B代表键，O，S，SO，SO2，CO，CR7R8，CO2R14，CONR14R15，N(COR14)(COR15)，N(SO2R14)(COR15)或NR14R15；D代表键，或C1-6烷基；E代表取代芳基或取代或未取代的杂环芳基；Q代表可选择取代的5-或6-成员芳基或杂环芳基环；X代表O，S，SO，SO2，CO，CNR5，CNOR5，CNNR5R6，NR11或CR7R8；Y代表CR5OR11，CR5SR11，NOR5，CR5NR6R11，SO，SO2，CO，CNR5，CNOR5或CS；R1和R1'各自独立地代表H，C1-6烷基或C1-4烷基芳基；R2代表CO2R12，CH2OR12或CONR12R13，CONR12OR13，NR12COR13，SR12，PO(OH)2，PONHR12或SONHR12；R3代表H，C1-6烷基或C1-4烷基芳基；R4代表可选择取代的芳基或杂环芳基；Z代表键，CH2，O，S，SO，SO2，NR5，OCR5R6，CR9R10O或Z，R4和Q共同形成可选择取代的融合三环基团；R5和R6各自独立地代表H，C1-6烷基或C1-4烷基芳基；R7和R8各自独立地代表H，卤素，C1-6烷基或C1-4烷基芳基；R9和R10各自独立地代表H，可选择由卤素，氰基，OR11或NR6R11取代的C1-6烷基，可选择由卤素，氰基，OR11或NR6R11取代的C1-4烷基芳基，OR11或，与它们连接的N一起，R9和R10形成杂环基团：R11代表H，C1-6烷基，C1-4烷基芳基或COR5；R12和R13各自独立地代表H，C1-3烷基，C1-3烷基芳基或C1-3烷基杂环芳基或，与它们连接的官能团一起，R12和R13形成杂环基团：R14和R15各自独立地代表H，C1-6烷基，C1-4烷基芳基或C1-4烷基杂环芳基或与它们连接的官能团一起，R14和R15形成杂环或融合杂环基团：以及其生理功能衍生物，其制备方法，含有它们的制药配方以及它们作为基质金属蛋白酶酶（MMPs）抑制剂的用途。
• Inducible nitric oxide synthase dimerization inhibitors
  申请人：Gahman C. Timothy

  公开号：US20060116515A1

  公开（公告）日：2006-06-01

  The present invention relates to compounds and methods useful as inhibitors of nitric oxide synthase. Certain compounds of the subject invention have the following structural formula: wherein T, X, and Y are independently selected from the group consisting of CR 4 , N, NR 4 , S, and O; U is selected from the group consisting of CR 10 and N; V is selected from the group consisting of CR 4 and N; W and W′ are independently selected from the group consisting of CH 2 , CR 7 R 8 , NR 9 , O, N(O), S(O) q and C(O); n, m and p are independently an integer from 0 to 5; q is 0, 1, or 2; and other substituents are as defined herein. Other compounds of the subject invention have structural formulas as defined herein. Also disclosed herein are pharmaceutical compositions comprising the compounds of the subject invention.

  本发明涉及化合物和方法，用作一氧化氮合酶的抑制剂。本发明的某些化合物具有以下结构式： 其中T、X和Y分别选自CR 4 、N、NR 4 、S和O组成的群；U选自CR 10 和N组成的群；V选自CR 4 和N组成的群；W和W′分别选自CH 2 、CR 7 R 8 、NR 9 、O、N(O)、S(O) q 和C(O)组成的群；n、m和p分别是从0到5的整数；q为0、1或2；其他取代基如本文所定义。本发明的其他化合物具有如本文所定义的结构式。本文还公开了包含本发明化合物的药物组合物。
• [EN] BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME<br/>[FR] COMPOSÉS ÉMISSIFS CYCLIQUES CONTENANT DU BORE ET FILM DE COLORISATION CONTENANT CEUX-CI
  申请人：NITTO DENKO CORP

  公开号：WO2020210761A1

  公开（公告）日：2020-10-15

  The present disclosure relates to novel photoluminescent complexes comprising a BODIPY moiety covalently bonded to a blue light absorbing moiety, a color conversion film comprising the photoluminescent complex, and a back-light unit using the same.

  本公开涉及新型的光致发光配合物，该配合物包括与蓝色光吸收基团共价键结合的BODIPY部分，包含该光致发光配合物的色转换膜，以及使用该配合物的背光单元。
• COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF
  申请人：Jenkins Thomas E.

  公开号：US20110262359A1

  公开（公告）日：2011-10-27

  The present disclosure provides pharmaceutical compositions, and their methods of use, where the pharmaceutical compositions comprise a prodrug that provides enzymatically-controlled release of a drug and an enzyme inhibitor that interacts with the enzyme(s) that mediates the enzymatically-controlled release of the drug from the prodrug so as to attenuate enzymatic cleavage of the prodrug. The disclosure provides pharmaceutical compositions which comprise an enzyme inhibitor and a prodrug that contains an enzyme-cleavable moiety that, when cleaved, facilitates release of the drug.

  本公开提供了药物组合物及其使用方法，其中药物组合物包括一种前药，该前药提供酶控释放药物的能力，以及一种酶抑制剂，与介导前药中药物酶控释放的酶相互作用，以减弱前药的酶解作用。该公开提供了包括酶抑制剂和含有酶可切割基团的前药的药物组合物，当切割时，促进药物释放。
• [EN] INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF<br/>[FR] INHIBITEURS DES ENZYMES PEPTIDYL ARGININE DÉIMINASES (PAD) ET UTILISATIONS DE CEUX-CI
  申请人：HOSPITAL FOR SICK CHILDREN

  公开号：WO2014019092A1

  公开（公告）日：2014-02-06

  The present application relates to imidazolidinecliones, compositions comprising these compounds and their use, in particular for the treatment of diseases, disorders or conditions characterized by or associated with the hypercitrullination of proteins by peptidyl arginine deiminase (PAD) enzymes. In particular, the present application includes compounds of Formula I, and compositions and uses thereof: (I).

  本申请涉及咪唑烷酮类化合物，包括这些化合物的组合物及其用途，特别是用于治疗由肽基精氨酸去二酶（PAD）酶引起的蛋白质高环脱氨基化特征或相关的疾病、疾病或症状。具体而言，本申请包括式I的化合物、组合物及其用途：(I)。