4-methyl-N-(1-methyl-1-phenylethyl)-2-phenyl-1,2,3,4-tetrahydropyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并三嗪类
• 英文名称: 4-methyl-N-(1-methyl-1-phenylethyl)-2-phenyl-1,2,3,4-tetrahydropyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
• 英文别名: 4-methyl-2-phenyl-N-(2-phenylpropan-2-yl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
• 化学式: C₂₂H₂₅N₅O
• 分子量: 375.473
• InChiKey: SMAQPOTVTJMDOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Ethyl 4-methylpyrazolo[5,1-c][1,2,4]triazine-8-carboxylate 在 sodium tetrahydroborate 、 platinum(II) oxide 、 乙醇 、 水 、 氢气 、 copper(II) dipivaloate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， -78.0~70.0 ℃ 、446.08 kPa 条件下， 反应 4.5h， 生成 4-methyl-N-(1-methyl-1-phenylethyl)-2-phenyl-1,2,3,4-tetrahydropyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
  参考文献：
  名称：

  Substituted pyrazolo[1,5-A] pyrimidines as calcium receptor modulating agents

  摘要：

  提供了一种包括式(I)化合物的钙受体调节剂： 其中环A是可选择地取代的5-至7-成员环；环B是可选择地取代的5-至7-成员杂环；X1是CR1、CR1R2、N或NR13；X2是N或NR3；Y是C、CR4或N，Z是CR5、CR5R6、N或NR7；Ar是可选择地取代的环状基团；R是H、可选择地取代的碳氢基团等；和是单键或双键；R1、R2、R3、R4、R5、R6、R7和R13独立地是H、可选择地取代的碳氢基团；或其盐或前药。还提供了式(II)和(III)的化合物： 其中环A是可选择地取代的5-至7-成员环；Q是C、CR5或N；R8、R9、R10、R11和R12独立地是H、可选择地取代的碳氢基团等，或其盐。 还请在式(II)和(III)中指定X1、R3、R1、Y和X3。

  公开号：

  US09447100B2

文献信息

• Calcium receptor modulating compound and use thereof
  申请人：Yasuma Tsuneo

  公开号：US20060079536A1

  公开（公告）日：2006-04-13

  There is provided a calcium receptor modulator comprising a compound of the formula (I): wherein ring A is an optionally substituted 5- to 7-membered ring; ring B is an optionally substituted 5- to 7-membered heterocyclic ring; X 1 is CR 1 , CR 1 R 2 , N or NR 13 ; X 2 is N or NR 3 ; Y is C, CR 4 or N, Z is CR 5 , CR 5 R 6 , N or NR 7 ; Ar is an optionally substituted cyclic group; R is H, an optionally substituted hydrocarbon group, etc.; and is a single bond or a double bond; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 13 are independently H, an optionally substituted hydrocarbon group; or a salt thereof or a prodrug thereof. Compounds of the formula (II) and (III): wherein ring A is an optionally substituted 5- to 7-membered ring; Q is C, CR 5 or N; R 8 , R 9 , R 10 , R 11 and R 12 are independently, H, an optionally substituted hydrocarbon group, etc., or a salt thereof are also provided. Also specify X 1 , R 3 , R 1 , Y and X 3 in formula (II) and (III) as before.

  提供了一种含有式(I)化合物的钙受体调节剂：其中，环A是可选取代的5-至7-成员环；环B是可选取代的5-至7-成员杂环；X1是CR1、CR1R2、N或NR13；X2是N或NR3；Y是C、CR4或N；Z是CR5、CR5R6、N或NR7；Ar是可选取代的环状基团；R是H、可选取代的碳氢基团等；是单键或双键；R1、R2、R3、R4、R5、R6、R7和R13独立地是H、可选取代的碳氢基团；或其盐或前药。还提供了式(II)和(III)化合物：其中，环A是可选取代的5-至7-成员环；Q是C、CR5或N；R8、R9、R10、R11和R12独立地是H、可选取代的碳氢基团等；或其盐。在式(II)和(III)中，X1、R3、R1、Y和X3的指定与之前相同。
• SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20140155416A1

  公开（公告）日：2014-06-05

  There is provided a calcium receptor modulator comprising a compound of the formula (I): wherein ring A is an optionally substituted 5- to 7-membered ring; ring B is an optionally substituted 5- to 7-membered heterocyclic ring; X 1 is CR 1 , CR 1 R 2 , N or NR 13 ; X 2 is N or NR 3 ; Y is C, CR 4 or N, Z is CR 5 , CR 5 R 6 , N or NR 7 ; Ar is an optionally substituted cyclic group; R is H, an optionally substituted hydrocarbon group, etc.; and is a single bond or a double bond; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 13 are independently H, an optionally substituted hydrocarbon group; or a salt thereof or a prodrug thereof. Compounds of the formula (II) and (III): wherein ring A is an optionally substituted 5- to 7-membered ring; Q is C, CR 5 or N; R 8 , R 9 , R 10 , R 11 and R 12 are independently, H, an optionally substituted hydrocarbon group, etc., or a salt thereof are also provided. Also specify X 1 , R 3 , R 1 , Y and X 3 in formula (II) and (III) as before.

  提供了一种含有式(I)化合物的钙受体调节剂，其中环A是可选取代的5-至7元环；环B是可选取代的5-至7元杂环；X1是CR1，CR1R2，N或NR13；X2是N或NR3；Y是C，CR4或N，Z是CR5，CR5R6，N或NR7；Ar是可选取代的环状基团；R是H，可选取代的烃基团等；表示单键或双键；R1、R2、R3、R4、R5、R6、R7和R13独立地是H，可选取代的烃基团；或其盐或前药。还提供了式(II)和(III)的化合物：其中环A是可选取代的5-至7元环；Q是C，CR5或N；R8、R9、R10、R11和R12独立地是H，可选取代的烃基团等，或其盐。同样指定式(II)和(III)中的X1、R3、R1、Y和X3如前。
• SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS
  申请人：Yasuma Tsuneo

  公开号：US20090215746A1

  公开（公告）日：2009-08-27

  There is provided a calcium receptor modulator comprising a compound of the formula (I): wherein ring A is an optionally substituted 5- to 7-membered ring; ring B is an optionally substituted 5- to 7-membered heterocyclic ring; X 1 is CR 1 , CR 1 R 2 , N or NR 13 ; X 2 is N or NR 3 ; Y is C, CR 4 or N, Z is CR 5 , CR 5 R 6 , N or NR 7 ; Ar is an optionally substituted cyclic group; R is H, an optionally substituted hydrocarbon group, etc.; and is a single bond or a double bond; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 13 are independently H, an optionally substituted hydrocarbon group; or a salt thereof or a prodrug thereof. Compounds of the formula (II) and (III): wherein ring A is an optionally substituted 5- to 7-membered ring; Q is C, CR 5 or N; R 8 , R 9 , R 10 , R 11 and R 12 are independently, H, an optionally substituted hydrocarbon group, etc., or a salt thereof are also provided. Also specify X 1 , R 3 , R 1 , Y and X 3 in formula (II) and (III) as before.

  提供了一种包含式(I)化合物的钙受体调节剂，其中环A是可选取代的5-至7-成员环；环B是可选取代的5-至7-成员杂环；X1是CR1、CR1R2、N或NR13；X2是N或NR3；Y是C、CR4或N，Z是CR5、CR5R6、N或NR7；Ar是可选取代的环状基团；R是H、可选取代的碳氢基团等；和是单键或双键；R1、R2、R3、R4、R5、R6、R7和R13独立地是H、可选取代的碳氢基团；或其盐或前药。还提供了式(II)和(III)化合物：其中环A是可选取代的5-至7-成员环；Q是C、CR5或N；R8、R9、R10、R11和R12独立地是H、可选取代的碳氢基团等，或其盐。同时，如前所述，还指定式(II)和(III)中的X1、R3、R1、Y和X3。
• CALCIUM RECEPTOR MODULATING COMPOUND AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1572113B1

  公开（公告）日：2017-05-17
• US7514441B2
  申请人：——

  公开号：US7514441B2

  公开（公告）日：2009-04-07