methallyl-urea | 89487-41-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: methallyl-urea
• 英文别名: Methallyl-harnstoff；N-(2-Methyl-allyl)-harnstoff；1-(2-Methylallyl)urea；2-methylprop-2-enylurea
• CAS: 89487-41-2
• 化学式: C₅H₁₀N₂O
• 分子量: 114.147
• InChiKey: HZZNMHAMSQOQEJ-UHFFFAOYSA-N

物化性质

• 溶解度：
  二氯甲烷、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methallyl-urea 在 sodium hydroxide 、 乙酸酐 作用下， 生成 6-amino-1-methallyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of 1-Mono- and 1,3-Di-Substituted 6-Aminouracils. Diuretic Activity

  摘要：

  DOI：

  10.1021/jo50006a010
• 作为产物：
  描述：

  N-(2-methylprop-2-en-1-yl)thiourea 在 sodium peroxide 作用下， 生成 methallyl-urea
  参考文献：
  名称：

  Peroxide Desulfurization of Thioureas

  摘要：

  DOI：

  10.1021/jo01066a072

文献信息

• 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors
  申请人：——

  公开号：US20030171384A1

  公开（公告）日：2003-09-11

  A compound of formula (I) in free or salt form, where R 1 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R 2 is hydrogen, alkyl, hydroxyalkyl, alkylcarbonyloxyalkyl, alkoxyalkyl, alkylthioalkyl, alkenyl, cycloalkylalkyl, heterocyclylalkyl, aralkyl in which the aryl ring thereof is optionally fused to a 5-membered heterocyclic group or is optionally substituted by one or more substituents selected from alkoxy, amino, alkylamino, dialkylamino, acylamino, halogen, hydroxy, aminosulfonyl, alkylaminosulfonyl, dialkylaminosulfonyl, alkylsulfonylamino or dialkylaminosulfonylamino, R 3 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R 4 is hydrogen or alkyl, R 5 is a quinolinyl, isoquinolinyl or oxodihydroisoquinolinyl group optionally fused to a 5-membered heterocyclic group and optionally substituted by one or more substituents selected from halogen, cyano, hydroxy, alkyl, hydroxyalkyl, alkoxyalkyl, alkylthioalkyl, alkoxy, alkylthio, alkenyl, alkoxycarbonyl, alkynyl, carboxyl, acyl, a group of formula —N(R 6 )R 7 , aryl optionally substituted by one or more substituents selected from halogen or alkoxy, or heteroaryl having 5 or 6 ring atoms attached through a ring carbon atom to the indicated carbon atom, and R 6 and R 7 are each independently hydrogen or alkyl optionally substituted by hydroxy or alkoxy or one of R 6 and R 7 is hydrogen and the other is acyl, or R 6 and R 7 together with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclyl group.

  化合物的化学式为（I），可以是自由形式或盐形式，其中R1是氢或烷基，可以选择性地被羟基，烷氧基或烷基硫代取代，R2是氢，烷基，羟基烷基，烷氧羰基氧烷基，烷氧基烷基硫代，烯基，环烷基烷基，杂环烷基烷基，芳基烷基，其芳环可以选择性地与5元杂环基融合或可以选择性地被一种或多种取代基所取代，所述取代基选择自烷氧基，氨基，烷基氨基，二烷基氨基，酰基氨基，卤素，羟基，氨基磺酰基，烷基氨基磺酰基，二烷基氨基磺酰基，烷基磺酰氨基或二烷基氨基磺酰氨基，R3是氢或烷基，可以选择性地被羟基，烷氧基或烷基硫代取代，R4是氢或烷基，R5是喹啉基，异喹啉基或氧代二氢异喹啉基，可以选择性地与5元杂环基融合，并可以选择性地被一种或多种取代基所取代，所述取代基选择自卤素，氰基，羟基，烷基，羟基烷基，烷氧羰基烷基硫代，烷氧基，烷基硫代，烯基，烷氧羰基，炔基，羧基，酰基，化学式为-N（R6）R7的基团，芳基可以选择性地被一种或多种取代基所取代，所述取代基选择自卤素或烷氧基，或者通过环碳原子连接到指示的碳原子的5个或6个环原子的杂环芳基，R6和R7各自独立地是氢或烷基，可以选择性地被羟基或烷氧基取代，或者R6和R7中的一个是氢，另一个是酰基，或者R6和R7与它们所连接的氮原子一起表示一个5-或6-成员杂环基团。
• 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors
  申请人：Bhalay Gurdip

  公开号：US20060106214A1

  公开（公告）日：2006-05-18

  A compound of formula (I) R 1 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R 2 is hydrogen, alkyl, hydroxyalkyl, alkylcarbonyloxyalkyl, alkoxyalkyl, alkylthioalkyl, alkenyl, cycloalkylalkyl, heterocyclylalkyl, aralkyl in which the aryl ring thereof is optionally fused to a 5-membered heterocyclic group or is optionally substituted by one or more substituents selected from alkoxy, amino, alkylamino, dialkylamino, acylamino, halogen, hydroxy, aminosulfonyl, alkylaminosulfonyl, dialkylaminosulfonyl, alkylsufonylamino or dialkylaminosulfonylamino, R 3 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R 4 is hydrogen or alkyl, R 5 is a quinolinyl, isoquinolinyl or oxodihydroisoquinolinyl group optionally fused to a 5-membered heterocyclic group and optionally substituted by one or more substituents selected from halogen, cyano, hydroxy, alkyl, hydroxyalkyl, alkoxyalkyl, alkylthioalkyl, alkoxy, alkylthio, alkenyl, alkoxycarbonyl, alkynyl, carboxyl, acyl, a group of formula —N(R 6 )R 7 , aryl optionally substituted by one or more substituents selected from halogen or alkoxy, or heteroaryl having 5 or 6 ring atoms attached through a ring carbon atom to the indicated carbon atom, and R 6 and R 7 are each independently hydrogen or alkyl optionally substituted by hydroxy or alkoxy or one of R 6 and R 7 is hydrogen and the other is acyl, or R 6 and R 7 together with the nitrogen atom to which they are attached denote a 5- or 6- membered heterocyclyl group.

  化合物的式子（I）中，R1是氢或烷基，可以选择性地被羟基、烷氧基或烷基硫代取代，R2是氢、烷基、羟基烷基、烷基羧酸酯基、烷氧基烷基、烷基硫代烷基、烯基、环烷基烷基、杂环烷基烷基、芳基烷基，其中芳环可以选择性地与5元杂环基融合或可以选择性地被一种或多种取代基所取代，这些取代基包括烷氧基、氨基、烷基氨基、二烷基氨基、酰胺基、卤素、羟基、氨基磺酰基、烷基氨基磺酰基、二烷基氨基磺酰基、烷基磺酰氨基或二烷基氨基磺酰氨基，R3是氢或烷基，可以选择性地被羟基、烷氧基或烷基硫代取代，R4是氢或烷基，R5是喹啉基、异喹啉基或氧代二氢异喹啉基，可以选择性地与5元杂环基融合并可以选择性地被一种或多种取代基所取代，这些取代基包括卤素、氰基、羟基、烷基、羟基烷基、烷氧基烷基、烷基硫代烷基、烷氧基、烷基硫代基、烯基、烷氧羰基、炔基、羧基、酰基、式子-N（R6）R7的基团、芳基，其中芳基可以选择性地被一种或多种取代基所取代，这些取代基包括卤素或烷氧基，或者是通过一个环碳原子与所指定的碳原子相连的含有5个或6个环原子的杂环芳基，R6和R7各自独立地是氢或烷基，可以选择性地被羟基或烷氧基取代，或者R6和R7中的一个是氢，另一个是酰基，或者R6和R7连同它们所附着的氮原子一起表示一个含有5个或6个环原子的杂环基团。
• Combinations
  申请人：——

  公开号：US20030114469A1

  公开（公告）日：2003-06-19

  The present invention relates to a pharmaceutical composition, comprising (a) a phosphodiesterase 5 inhibitor or a pharmaceutically acceptable salt thereof and (b) at least one of the active ingredients selected from the group consisting of (i) an anti-diabetic agent; (ii) HMG-Co-A reductase inhibitors; (iii) an anti-hypertensive agent; and (iv) a serotonin reuptake inhibitor (SSRI) or, in each case, or a pharmaceutically acceptable salt thereof; and a pharmaceutically acceptable carrier. The pharmaceutical composition may be employed for the treatment of sexual dysfunction, hyperglycemia, hyperinsulinaemia, hyperlipidaemia, hypertriglyceridemia, diabetes, insulin resistance, impaired glucose metabolism, conditions of impaired glucose tolerance (IGT), conditions of impaired fasting plasma glucose, obesity, diabetic retinopathy, diabetic nephropathy, glomerulosclerosis, diabetic neuropathy, syndrome X, erectile dysfunction, coronary heart disease, hypertension, especially ISH, angina pectoris, myocardial infarction, stroke, vascular restenosis, endothelial dysfunction, impaired vascular compliance, congestive heart failure.

  本发明涉及一种药物组合物，包括(a)磷酸二酯酶5抑制剂或其药学上可接受的盐和(b)至少一种选自以下组合的活性成分：(i)抗糖尿病药物；(ii)HMG-Co-A还原酶抑制剂；(iii)抗高血压药物；和(iv)血清素再摄取抑制剂（SSRI），或在每种情况下或其药学上可接受的盐；以及药学上可接受的载体。该药物组合物可用于治疗性功能障碍，高血糖，高胰岛素血症，高脂血症，高三酰甘油血症，糖尿病，胰岛素抵抗，糖代谢障碍，糖耐量受损（IGT）病情，空腹血糖受损病情，肥胖症，糖尿病视网膜病变，糖尿病肾病，肾小球硬化，糖尿病神经病变，X综合症，勃起功能障碍，冠心病，高血压，尤其是难治性高血压，心绞痛，心肌梗塞，中风，血管再狭窄，内皮功能障碍，血管顺应性受损，充血性心力衰竭等情况。
• 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors
  申请人：——

  公开号：US20040038996A1

  公开（公告）日：2004-02-26

  A compound of formula (I) 1 R 1 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R 2 is hydrogen, alkyl, hydroxyalkyl, alkylcarbonyloxyalkyl, alkoxyalkyl, alkylthioalkyl, alkenyl, cycloalkylalkyl, heterocyclylalkyl, aralkyl in which the aryl ring thereof is optionally fused to a 5-membered heterocyclic group or is optionally substituted by one or more substituents selected from alkoxy, amino, alkylamino, dialkylamino, acylamino, halogen, hydroxy, aminosulfonyl, alkylaminosulfonyl, dialkylaminosulfonyl, alkylsulfonylamino or dialkylaminosulfonylamino, R 3 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R 4 is hydrogen or alkyl, R 5 is a quinolinyl, isoquinolinyl or oxodihydroisoquinolinyl group optionally fused to a 5-membered heterocyclic group and optionally substituted by one or more substituents selected from halogen, cyano, hydroxy, alkyl, hydroxyalkyl, alkoxyalkyl, alkylthioalkyl, alkoxy, alkylthio, alkenyl, alkoxycarbonyl, alkynyl, carboxyl, acyl, a group of formula —N(R 6 )R 7 , aryl optionally substituted by one or more substituents selected from halogen or alkoxy, or heteroaryl having 5 or 6 ring atoms attached through a ring carbon atom to the indicated carbon atom, and R 6 and R 7 are each independently hydrogen or alkyl optionally substituted by hydroxy or alkoxy or one of R 6 and R 7 is hydrogen and the other is acyl, or R 6 and R 7 together with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclyl group.

  化合物的化学式（I）：其中，1R1为氢或烷基，可以选择性地被羟基，烷氧基或烷基硫代取代；R2为氢，烷基，羟基烷基，烷氧基烷基羰基氧基烷基，烷基硫代烷基，烯基，环烷基烷基，杂环基烷基，芳基烷基，其中其芳环可以选择性地与5元杂环基融合或可以选择性地被一个或多个取代基所取代，所述取代基被选择自烷氧基，氨基，烷基氨基，二烷基氨基，酰胺基，卤素，羟基，氨基磺酰基，烷基氨基磺酰基，二烷基氨基磺酰基，烷基磺酰氨基或二烷基氨基磺酰氨基；R3为氢或烷基，可以选择性地被羟基，烷氧基或烷基硫代取代；R4为氢或烷基；R5为喹啉基，异喹啉基或氧代二氢异喹啉基，可以选择性地与5元杂环基融合，并且可以选择性地被一个或多个取代基所取代，所述取代基被选择自卤素，氰基，羟基，烷基，羟基烷基，烷氧基烷基硫代烷基，烷氧基，烷基硫代基，烯基，烷氧羰基，炔基，羧基，酰基，式为—N（R6）R7的基团，可以选择性地被一个或多个取代基所取代，所述取代基被选择自卤素或烷氧基的芳基，或者具有5个或6个环原子的杂环芳基，通过一个环碳原子与所示碳原子相连，其中R6和R7各自独立地为氢或烷基，可以选择性地被羟基或烷氧基取代，或者R6和R7中的一个为氢，另一个为酰基，或者R6和R7与它们所附着的氮原子一起表示一个5元或6元杂环基团。
• 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors
  申请人：——

  公开号：US07361661B2

  公开（公告）日：2008-04-22

  A compound of formula (I) R1 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R2 is hydrogen, alkyl, hydroxyalkyl, alkylcarbonyloxyalkyl, alkoxyalkyl, alkylthioalkyl, alkenyl, cycloalkylalkyl, heterocyclylalkyl, aralkyl in which the aryl ring thereof is optionally fused to a 5-membered heterocyclic group or is optionally substituted by one or more substituents selected from alkoxy, amino, alkylamino, dialkylamino, acylamino, halogen, hydroxy, aminosulfonyl, alkylaminosulfonyl, dialkylaminosulfonyl, alkylsufonylamino or dialkylaminosulfonylamino, R3 is hydrogen or alkyl optionally substituted by hydroxy, alkoxy, or alkylthio, R4 is hydrogen or alkyl, R5 is a quinolinyl, isoquinolinyl or oxodihydroisoquinolinyl group optionally fused to a 5-membered heterocyclic group and optionally substituted by one or more substituents selected from halogen, cyano, hydroxy, alkyl, hydroxyalkyl, alkoxyalkyl, alkylthioalkyl, alkoxy, alkylthio, alkenyl, alkoxycarbonyl, alkynyl, carboxyl, acyl, a group of formula —N(R6)R7, aryl optionally substituted by one or more substituents selected from halogen or alkoxy, or heteroaryl having 5 or 6 ring atoms attached through a ring carbon atom to the indicated carbon atom, and R6 and R7 are each independently hydrogen or alkyl optionally substituted by hydroxy or alkoxy or one of R6 and R7 is hydrogen and the other is acyl, or R6 and R7 together with the nitrogen atom to which they are attached denote a 5- or 66-mambered heterocyclyl group.

  化合物的化学式(I)，其中R1为氢或烷基，可选地被羟基、烷氧基或烷基硫代取代；R2为氢、烷基、羟基烷基、烷基羧酸酯基烷基、烷氧基烷基、烷基硫代烷基、烯基、环烷基烷基、杂环烷基烷基、芳基烷基，其中芳环可以选择地与5元杂环基融合或可选择地被一种或多种取代基所取代，所述取代基选择自烷氧基、氨基、烷基氨基、二烷基氨基、酰基氨基、卤素、羟基、氨基磺酰基、烷基氨基磺酰基、二烷基氨基磺酰基、烷基磺酰氨基或二烷基氨基磺酰氨基；R3为氢或烷基，可选地被羟基、烷氧基或烷基硫代取代；R4为氢或烷基；R5为喹啉基、异喹啉基或氧二氢异喹啉基，可选择地与5元杂环基融合，并可选择地被一种或多种取代基所取代，所述取代基选择自卤素、氰基、羟基、烷基、羟基烷基、烷氧基烷基、烷基硫代烷基、烷氧基、烷基硫代、烯基、烷氧羰基、炔基、羧基、酰基、化学式为—N(R6)R7的基团、可选择地被一种或多种取代基所取代的芳基，或通过一个环碳原子连接到所示碳原子的具有5或6个环原子的杂环芳基，其中R6和R7各自独立地为氢或烷基，可选地被羟基或烷氧基取代，或者R6和R7中的一个为氢，另一个为酰基，或者R6和R7与它们所连接的氮原子一起表示5-或6-成员杂环基。