2-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one | 65749-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 2-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
• 英文别名: 2-Methyl-1H-pyrrolo[3,2-d]pyrimidin-4(5H)-one；2-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
• CAS: 65749-97-5
• 化学式: C₇H₇N₃O
• mdl: MFCD19221425
• 分子量: 149.152
• InChiKey: RAANISQWIATQQH-UHFFFAOYSA-N

物化性质

• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  57.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one 在 溴 作用下， 以 溶剂黄146 为溶剂， 以58.5%的产率得到7-Bromo-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-ol
  参考文献：
  名称：

  Synthesis and biological activity of 4,7-substituted pyrrolo[3,2-d]pyrimidines

  摘要：

  DOI：

  10.1007/bf00779278

文献信息

• SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20150329556A1

  公开（公告）日：2015-11-19

  The present invention provides a novel amide derivative having a matrix metalloproteinase inhibitory activity, and useful as a pharmaceutical agent, which is a compound represented by the formula (I) wherein ring A is an optionally substituted, nitrogen containing heterocycle, ring B is an optionally substituted monocyclic homocycle or an optionally substituted monocyclic heterocycle, Z is N or NR 1 (R 1 is a hydrogen atom or an optionally substituted hydrocarbon group), is a single bond or a double bond, R 2 is a hydrogen atom or an optionally substituted hydrocarbon group, X is an optionally substituted spacer having 1 to 6 atoms, ring C is (1) an optionally substituted homocycle or (2) an optionally substituted heterocycle other than a ring represented by (II) (X′ is S, O, SO, or CH 2 ), and at least one of ring B and ring C has substituent(s), provided that N-(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]2 hydroxypropyl}5,6 dimethyl 4 oxo 1,4 dihydrothieno[2,3-d]pyrimidine-2-carboxamide is excluded, or a salt thereof.

  本发明提供了一种新型酰胺衍生物，具有基质金属蛋白酶抑制活性，并且作为药用剂是有用的，该化合物由以下式(I)表示，其中环A是一个可选择取代的含氮杂环，环B是一个可选择取代的单环同核环或可选择取代的单环杂环，Z是N或NR1（R1是氢原子或可选择取代的碳氢基团），是一个单键或双键，R2是氢原子或可选择取代的碳氢基团，X是一个具有1到6个原子的可选择取代的间隔物，环C是（1）一个可选择取代的同核环或（2）一个除了由（II）表示的环之外的可选择取代的杂环（X′是S、O、SO或CH2），并且环B和环C中至少有一个有取代基，但不包括N-(1S,2R)-1-(3,5-二氟苄基)-3-[(3-乙基苄基)氨基]2-羟基丙基}5,6-二甲基-4-氧代-1,4-二氢噻唑并[2,3-d]嘧啶-2-羧酰胺，或其盐。
• [EN] HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR<br/>[FR] COMPOSÉ AMIDE HETEROCYCLIQUE ET UTILISATION DE CELUI-CI EN TANT QU'INHIBITEUR MMP-13
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005105760A1

  公开（公告）日：2005-11-10

  The present invention provides a novel amide derivative having a matrix metalloproteinase inhibitory activity, and useful as a pharmaceutical agent, which is a compound represented by the formula (I) wherein ring A is an optionally substituted, nitrogen-containing heterocycle, ring B is an optionally substituted monocyclic homocycle or an optionally substituted monocyclic heterocycle, Z is N or NR1 (R1 is a hydrogen atom or an optionally substituted hydrocarbon group), - - - is a single bond or a double bond, R2 is a hydrogen atom or an optionally substituted hydrocarbon group, X is an optionally substituted spacer having 1 to 6 atoms, ring C is (1) an optionnally substituted homocycle or (2) an optionally substituted heterocycle other than a ring represented by (II) (X’ is S, O, SO, or CH2), and at least one of ring B and ring C has substituent(s), provided that N-(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-5,6-dimethyl-4-oxo-1,4-dihadrothieno[2,3-d]pyrimidine-2-carboxamide is excluded, or a salt thereof.

  本发明提供了一种新型酰胺衍生物，具有基质金属蛋白酶抑制活性，并且作为药用剂是有用的，该化合物由以下式(I)表示，其中环A是一个可选择取代的含氮杂环，环B是一个可选择取代的单环同核环或可选择取代的单环杂环，Z是N或NR1（R1是氢原子或可选择取代的碳氢基团），- - - 是一个单键或双键，R2是氢原子或可选择取代的碳氢基团，X是具有1到6个原子的可选择取代的间隔物，环C是(1)一个可选择取代的同核环或(2)除了由(II)表示的环之外的可选择取代的杂环（X'是S、O、SO或CH2），并且环B和环C中至少有一个具有取代基，但不包括N-(1S,2R)-1-(3,5-二氟苄基)-3-[(3-乙基苄基)氨基]-2-羟基丙基}-5,6-二甲基-4-氧代-1,4-二氢噻吩[2,3-d]嘧啶-2-羧酰胺或其盐。
• Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents
  申请人：Duquesne University of the Holy Spirit

  公开号：US20160304525A1

  公开（公告）日：2016-10-20

  The present invention provides a compound of Formula I, and salts thereof, and a pharmaceutical composition comprising a compound of Formula I: wherein R 1 is selected from the group consisting of and R 2 is an alkyl group having from one to ten carbon atoms, or wherein R 2 is selected from the group consisting of R 1 is an alkyl group having from one to ten carbon atoms; and R is H, or an alkyl group having from one to ten carbon atoms, and R 3 is H, an alkyl group having from one to ten carbon atoms, or a halogen. Preferably the compound of Formula V includes wherein R 3 is a halogen, and most preferably wherein the halogen is chlorine. Methods of treating a patient with cancer with these compounds are also provided.

  本发明提供了一种化合物I的盐，以及包括化合物I的药物组合物：其中R1选自以下组成的群体，R2是具有一到十个碳原子的烷基基团，或者R2选自以下组成的群体，R1是具有一到十个碳原子的烷基基团；R是H，或者具有一到十个碳原子的烷基基团，R3是H，具有一到十个碳原子的烷基基团，或者卤素。优选化合物V包括其中R3是卤素，最优选其中卤素是氯。还提供了使用这些化合物治疗癌症患者的方法。
• Process for preparing inhibitors of nucleoside metabolism
  申请人：Furneaux Hubert Richard

  公开号：US20070161667A1

  公开（公告）日：2007-07-12

  A process of preparing a compound of the formula (I) wherein B is chosen from OH, NH 2 , NHR, H or halogen; D is chosen from OH, NH 2 , NHR, H halogen or SCH 3 ; R is an optionally substituted alkyl, aralkyl or aryl group; and Z is selected from OH, hydrogen, halogen, hydroxy, SQ or OQ, Q is an optionally substituted alkyl, aralkyl or aryl group; or a tautomer thereof; or a pharmaceutically acceptable salt thereof; or an ester thereof; or a prodrug thereof, which comprises reacting a compound of the formula (II) with an anion produced by abstraction of the bromine or iodine atom from a compound of formula (XIX),

  制备公式（I）化合物的过程，其中B选自OH，NH2，NHR，H或卤素；D选自OH，NH2，NHR，H，卤素或SCH3；R是可选取的取代基的烷基，芳基烷基或芳基；Z选自OH，氢，卤素，羟基，SQ或OQ，Q是可选取的取代基的烷基，芳基烷基或芳基；或其互变异构体；或其药学上可接受的盐；或其酯；或其前药。该过程包括将公式（II）化合物与从公式（XIX）化合物中提取溴或碘原子所产生的阴离子反应。
• Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases
  申请人：Evans Gary Brian

  公开号：US20100094003A1

  公开（公告）日：2010-04-15

  The present invention relates to a new process for the preparation of compounds of general formula (I) which are inhibitors of purine nucleoside phosphorylases (PNP), purine phosphoribosyltransferases (PPRT), 5′-methylthioadenosine phosphorylases (MTAP), 5′-methylthioadenosine nucleosidases (MTAN) and/or nucleoside hydrolases (NH). The present invention relates to a new process for the preparation of compounds of general formula (I) which are inhibitors of purine nucleoside phosphorylases (PNP), purine phosphoribosyltransferases (PPRT), 5′-methylthioadenosine phosphorylases (MTAP), 5′-methylthioadenosine nucleosidases (MTAN) and/or nucleoside hydrolases (NH).

  本发明涉及一种新的制备通式（I）化合物的方法，该化合物是嘌呤核苷酸磷酸酯酶（PNP）、嘌呤磷酸核糖转移酶（PPRT）、5'-甲基硫腺苷磷酸酶（MTAP）、5'-甲基硫腺苷核苷酸酶（MTAN）和/或核苷酸水解酶（NH）的抑制剂。本发明涉及一种新的制备通式（I）化合物的方法，该化合物是嘌呤核苷酸磷酸酯酶（PNP）、嘌呤磷酸核糖转移酶（PPRT）、5'-甲基硫腺苷磷酸酶（MTAP）、5'-甲基硫腺苷核苷酸酶（MTAN）和/或核苷酸水解酶（NH）的抑制剂。