Carbamidsaeure-<3>pyridyl-methylester | 6457-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Carbamidsaeure-<3>pyridyl-methylester
• 英文别名: carbamic acid-[3]pyridylmethyl ester；Carbamidsaeure-[3]pyridylmethylester；3-Pyridinylmethyl carbamate；pyridin-3-ylmethyl carbamate
• CAS: 6457-62-1
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: KBVSHAWWGLGKAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Carbamidsaeure-<3>pyridyl-methylester 、 [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,7R,8R,9R,11R,13R,14R)-2-ethyl-18-formyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12-trioxo-3,22-dioxa-15-azatricyclo[12.8.0.016,21]docosa-16(21),17,19-trien-8-yl]oxy]-6-methyloxan-3-yl] acetate 在 三乙基硅烷 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 生成 [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,7R,8R,9R,11R,13R,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12-trioxo-18-[(pyridin-3-ylmethoxycarbonylamino)methyl]-3,22-dioxa-15-azatricyclo[12.8.0.016,21]docosa-16(21),17,19-trien-8-yl]oxy]-6-methyloxan-3-yl] acetate
  参考文献：
  名称：

  新型红霉素A衍生物：11,12-苯并恶嗪酮醇化物的合成

  摘要：

  已经合成了一系列新的红霉素A的11，12-苯并恶嗪酮化物衍生物。通过分子内迈克尔将C12- O-（2-氨基苯基）基团加到10,11-脱水红霉素A衍生物3的烯酮官能团上，立体选择性地构建了C11，C12-苯并恶嗪结构。

  DOI：

  10.1016/j.tetlet.2005.01.126
• 作为产物：
  描述：

  3-吡啶甲醇 、 三氯乙酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 1,4-二氧六环 作用下， 生成 Carbamidsaeure-<3>pyridyl-methylester
  参考文献：
  名称：

  Billiotte; Debay, 1966, vol. 2, p. 164,167

  摘要：

  DOI：

文献信息

• A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG
  申请人：Shionogi & Co., Ltd.

  公开号：US20200261481A1

  公开（公告）日：2020-08-20

  A medicament characterized in that (A) a compound represented by the formula (I): its pharmaceutically acceptable salt, or a solvate thereof, wherein P is hydrogen or a group to form a prodrug; A 1 is CR 1A R 1B , S or O; A 2 is CR 2A R 2B , S or O; A 3 is CR 3A R 3B , S or O; A 4 is each independently CR 4A R 4B , S or O; the number of hetero atoms among atoms constituting the ring which consists of A 1 , A 2 , A 3 , A 4 , nitrogen atom adjacent to A 1 and carbon atom adjacent to A 4 is 1 or 2; R 1A and R 1B are each independently hydrogen, halogen, alkyl or the like; R 2A and R 2B are each independently hydrogen, halogen, alkyl, or the like; R 3A and R 3B are each independently hydrogen, halogen, alkyl, or the like; R 4A are each independently hydrogen, halogen, alkyl, or the like; R 4B are each independently hydrogen, halogen, alkyl, or the like; R 3A and R 3B may be taken together with an adjacent carbon atom to form non-aromatic carbocycle or non-aromatic heterocycle; n is any integer of 1 to 2; and R 1 is or the like, is combined with (B) compound(s) having an anti-influenza activity, its pharmaceutically acceptable salt or a solvate thereof and/or an antibody having anti-influenza activity, is useful for treating or preventing influenza.

  一种药物，其特征在于（A）由以下式（I）表示的化合物： 其药学上可接受的盐，或其溶剂合物， 其中 P为氢或形成前药的基团; A 1 为CR 1A R 1B 、S或O; A 2 为CR 2A R 2B 、S或O; A 3 为CR 3A R 3B 、S或O; A 4 分别为独立的CR 4A R 4B 、S或O; 构成由A 1 、A 2 、A 3 、A 4 、邻接到A 1 的氮原子和邻接到A 4 的碳原子的环的原子中的杂原子数为1或2; R 1A 和R 1B 分别为独立的氢、卤素、烷基或类似物; R 2A 和R 2B 分别为独立的氢、卤素、烷基或类似物; R 3A 和R 3B 分别为独立的氢、卤素、烷基或类似物; R 4A 分别为独立的氢、卤素、烷基或类似物; R 4B 分别为独立的氢、卤素、烷基或类似物; R 3A 和R 3B 可以与相邻的碳原子结合形成非芳香碳环或非芳香杂环; n为1到2的任意整数; 和 R 1 为 或类似物， 与具有抗流感活性的（B）化合物，其药学上可接受的盐或其溶剂合物和/或具有抗流感活性的抗体结合，用于治疗或预防流感。
• [EN] 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS<br/>[FR] DÉRIVÉS DE 4,5-DIHYDROISOXAZOLE UTILISÉS COMME INHIBITEURS DE NAMPT
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014111871A1

  公开（公告）日：2014-07-24

  The present invention provides substituted 4,5-dihydroisoxazole derivatives of formula (I), which may be therapeutically useful, more particularly NAMPT inhibitors and in which R1 R2, Y, X, "Het" and "p" have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention of diseases or disorder caused by an elevated level of nicotinamide phosphoribosyltransferase (NAMPT) in a mammal. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of the substituted 4,5-dihydroisoxazole derivatives of formula (I) or a pharmaceutically acceptable salts or stereoisomers or N-oxide thereof.

  本发明提供了式(I)的取代4,5-二氢异噁唑衍生物，可能在治疗上有用，更具体地是NAMPT抑制剂，其中R1、R2、Y、X、“Het”和“p”的含义如规范中所述，并且它们的药学上可接受的盐，在哺乳动物中治疗和预防由尼古酰胺磷酸核糖转移酶(NAMPT)水平升高引起的疾病或紊乱。本发明还提供了化合物的制备以及包含式(I)的取代4,5-二氢异噁唑衍生物中至少一个或其药学上可接受的盐或立体异构体或N-氧化物的制药配方。
• [EN] DIAZABICYCLOOCTANE DERIVATIVES COMPRISING A QUATERNERY AMMONIUM GROUP FOR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DÉRIVÉS DE DIAZABICYCLOOCTANE COMPRENANT UN GROUPE D'AMMONIUM QUATERNAIRE DESTINÉ À ÊTRE UTILISÉ EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：WOCKHARDT LTD

  公开号：WO2018203194A1

  公开（公告）日：2018-11-08

  Compounds of Formula (I), pharmaceutical compositions comprising these compounds and their use in treating bacterial infection is disclosed.

  公开了化合物（I）的化合物，包括这些化合物的药物组合物以及它们在治疗细菌感染中的用途。
• Carbamates of rapamycin
  申请人：Wyeth

  公开号：EP1266900A1

  公开（公告）日：2002-12-18

  The invention concerns a compound of the structure wherein R1 and R2 are each, independently, hydrogen, -CONH-[(CR3R4)m(-A-(CR5R6)n)p]q-B; R3, R4, R5, R6, R9 and R10 are each defined substitutents, and R3-6 may each also represent hydrogen, B is alkenyl of 2-7 carbon atoms, alkynyl of 2-7 carbon atoms, hydroxyalkyl of 1-6 carbon atoms, alkylthioalkyl of 2-12 carbon atoms, alkylaminoalkyl of 2-12 carbon atoms, dialkylaminoalkyl of 3-12 carbon atoms, -OR7, -SR7, -CN, -COR7, -CONHR7, -OSO3R7, -NR7R8, -NHCOR7, -NHSO2R7, or Ar; A is -CH2-, -NR7-, -O-, -S-, -SO-, -PR7-, -NHCO-, -NHSO- or -P(O)(R7)-; Ar is naphthyl, pyridyl, quinolyl, isoquinolyl, quinoxalyl, thienyl, thionaphthyl, furyl, benzofuryl, benzodioxyl, benzoxazolyl, benzoisoxazolyl, indolyl, thiazolyl, isoxazolyl, pyrimidinyl, pyrazinyl, imidazolyl, benzopyranyl, benz[b]thiophenolyl, benzimidazolyl, benzthiazolyl, benzodioxolyl, piperidinyl, morpholinyl, piperazinyl, tetrahydrofuranyl, or pyrrolidinyl; wherein the Ar group may be optionally mono-, di-, or tri- substituted with a group selected from alkyl of 1-6 carbon atoms, arylalkyl of 7-10 carbon atoms, alkoxy of 1-6 carbon atoms, cyano, halo, hydroxy, nitro, carbalkoxy of 2-7 carbon atoms, trifluoromethyl, amino, dialkylamino of 1-6 carbon atoms per alkyl group, dialkylaminoalkyl of 3-12 carbon atoms, hydroxyalkyl of 1-6 carbon atoms, alkoxyalkyl of 2-12 carbon atoms, alkylthio of 1-6 carbon atoms, -SO3H -PO3H, and -CO2H; PO3H, and -CO2H; is a nitrogen containing heterocycle that may be saturated, unsaturated, or partially unsaturated, and may be optionally mono-, di-, or tri- substituted with a defined substituent, with the proviso that R1 and R2 are not both hydrogen; m=0-6; n=0-6; p=0-1; q=0-1; or a pharmaceutically acceptable salt thereof which is useful as an immunosuppressive, antiinflammatory, antifungal, antiproliferative, and antitumor agent.

  该发明涉及一种具有以下结构的化合物，其中R1和R2分别独立地为氢，-CONH-[(CR3R4)m(-A-(CR5R6)n)p]q-B；R3、R4、R5、R6、R9和R10均为定义的取代基，R3-6也可以分别表示氢，B为2-7个碳原子的烯基，2-7个碳原子的炔基，1-6个碳原子的羟基烷基，2-12个碳原子的烷硫基烷基，2-12个碳原子的烷基氨基烷基，3-12个碳原子的二烷基氨基烷基，-OR7，-SR7，-CN，-COR7，-CONHR7，-OSO3R7，-NR7R8，-NHCOR7，-NHSO2R7或Ar；A为-CH2-，-NR7-，-O-，-S-，-SO-，-PR7-，-NHCO-，-NHSO-或-P(O)(R7)-；Ar为萘基，吡啶基，喹啉基，异喹啉基，喹啉基，噻吩基，噻萘基，呋喃基，苯并呋喃基，苯二氧基基，苯氧唑基，苯并异唑基，吲哚基，噻唑基，异噁唑基，嘧啶基，吡啉基，咪唑基，苯并吡喃基，苯并噻吩基，苯并咪唑基，苯并噻唑基，苯二氧唑基，哌啶基，吗啉基，哌嗪基，四氢呋喃基或吡咯烷基；其中Ar基可以选择性地单取代、双取代或三取代，取代基可选自1-6个碳原子的烷基，7-10个碳原子的芳基烷基，1-6个碳原子的烷氧基，氰基，卤素，羟基，硝基，2-7个碳原子的羰基烷氧基，三氟甲基，氨基，1-6个碳原子的二烷基氨基，3-12个碳原子的二烷基氨基烷基，1-6个碳原子的羟基烷基，2-12个碳原子的烷氧基烷基，1-6个碳原子的烷硫基，-SO3H，-PO3H和-CO2H；PO3H和-CO2H；是一种含氮杂环，可以饱和、不饱和或部分不饱和，并且可以选择性地单取代、双取代或三取代具有定义的取代基，但R1和R2不能同时为氢；m=0-6；n=0-6；p=0-1；q=0-1；或其药学上可接受的盐，可用作免疫抑制剂、抗炎剂、抗真菌剂、抗增殖剂和抗肿瘤剂。
• [EN] NOVEL COMPOUNDS AND METHODS OF USING THEM<br/>[FR] COMPOSÉS NOVATEURS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SYNDAX PHARMACEUTICALS INC

  公开号：WO2009015237A1

  公开（公告）日：2009-01-29

  Described herein are novel HDAC inhibitors, formulations containing them and methods of using them. In some embodiments, the HDAC inhibitors possess specific stereochemistry. In other embodiments, the compounds described herein are used in the treatment or prevention of histone deacetylase mediated disorders.

  本文描述了一种新型的HDAC抑制剂，包括含有它们的配方和使用它们的方法。在某些实施例中，HDAC抑制剂具有特定的立体化学。在其他实施例中，本文所述的化合物用于治疗或预防组蛋白去乙酰化酶介导的疾病。