sodium (1Z)-3-tert-butyl-3-ethyltriaz-1-en-1-olate 2-oxide | 1350433-97-4

• 英文名称: sodium (1Z)-3-tert-butyl-3-ethyltriaz-1-en-1-olate 2-oxide
• 英文别名: sodium;(Z)-[tert-butyl(ethyl)amino]-oxido-oxidoiminoazanium
• CAS: 1350433-97-4
• 化学式: C₆H₁₄N₃O₂*Na
• 分子量: 183.186
• InChiKey: YXFXXXMEDUJCSM-VILQZVERSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.51
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium (1Z)-3-tert-butyl-3-ethyltriaz-1-en-1-olate 2-oxide 、 ethyl trans-4-({[4-(trifluoromethyl)phenyl]sulfonyl}oxy)cyclohexanecarboxylate 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 ethyl cis-4-({[(1Z)-2-tert-butyl-2-ethyl-1-oxido-1λ5-diazan-1-ylidene]amino}oxy)cyclohexanecarboxylate
  参考文献：
  名称：

  [EN] DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES
  [FR] DÉRIVÉS CYCLOHEXYLIQUES DE DIOLATE DE DIAZÉNIUM

  摘要：

  化合物具有结构（I）或其药学上可接受的盐，其中R3是氢，氘，-OH，-OC1-6烷基或卤素；R8是氢，氘或C1-6烷基；R11和R12独立地是氢，-C1-6烷基，-OH，-OC1-6烷基或卤素；R13和R14独立地是-C1-6烷基，-(CH2)1-2OH或-OC1-6烷基，或者与它们连接的氮原子一起形成一个含有一个氮原子和0或1个氧原子的4-至7-成员杂环环，其中所述环未取代或单取代，双取代或三取代为卤素或-C1-6烷基；R15是（CR1R2）nC（O）OR16，其中n为0，1或2，-C（O）NHCH（R17）OR16，或-C（O）NHCH（R17）C（O）NHCH（R18）C（O）OR16；R16是氢，C1-6烷基或（CH2）1-2N+R19R20R21；R1，R2，R4，R5，R6，R7，R9，R10，R17，R18，R19，R20和R21独立地是氢或-C1-6烷基；以及其立体异构体，及其药学上可接受的盐，以及其立体异构体的药学上可接受的盐。

  公开号：

  WO2011146371A1

文献信息

• [EN] DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES DE DIAZÉNIUMDIOLATE
  申请人：MERCK SHARP & DOHME

  公开号：WO2012058203A1

  公开（公告）日：2012-05-03

  A compound having the structure: useful for treating hypertension, Pulmonary Arterial Hypertension (PAH), congestive heart failure, conditions resulting from excessive water retention, cardiovascular disease, diabetes, oxidative stress, endothelial dysfunction, cirrhosis, pre-eclampsia, osteoporosis or nephropathy.

  一种具有以下结构的化合物：用于治疗高血压、肺动脉高压（PAH）、充血性心力衰竭、由过多水潴留引起的疾病、心血管疾病、糖尿病、氧化应激、内皮功能障碍、肝硬化、子痫前期、骨质疏松症或肾病。
• ANGIOTENSIN II RECEPTOR ANTAGONISTS
  申请人：ALI Amjad

  公开号：US20110201621A1

  公开（公告）日：2011-08-18

  A compound having the structure wherein R is an angiotensin receptor antagonist active group, Y is selected from the group consisting of and 2) —C(R 1 H)OC(O)X((CR 12 R 13 )—(CHR 10 ) m —(CH 2 ) n —Z p —(CH 2 ) q —(CHR 11 ) r —(CR 16 R 17 ))—R 5 ; Z is —O— or —(CR 14 R 15 )—; m, n, p, q, and r are independently selected from the group consisting of 0 and 1; X is —O— or —(CR 18 R 19 )—; R 1 is selected from the group consisting of hydrogen, C 1-4 alkyl, aryl and C 1-4 alkylaryl; R 5 is —O—N═N(O)—NR 3 R 4 ; or a pharmaceutically acceptable salt or hydrate thereof, which is useful for treating hypertension.

  一种化合物，其结构为其中R为血管紧张素受体拮抗剂活性基团，Y选择自以下组成的群体：和2）—C（R1H）OC（O）X（（CR12R13）—（CHR10）m—（CH2）n—Zp—（ ）q—（CHR11）r—（CR16R17））—R5；Z为—O—或—（CR14R15）—；m，n，p，q和r独立地从0和1的组成中选择；X为—O—或—（CR18R19）—；R1选择自氢、C1-4烷基、芳基和C1-4烷基芳基的组成中；R5为—O—N═N（O）—NR3R4；或其药学上可接受的盐或水合物，用于治疗高血压。
• DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES
  申请人：Ali Amjad

  公开号：US20130289003A1

  公开（公告）日：2013-10-31

  A compound having the structure: useful for treating hypertension, Pulmonary Arterial Hypertension (PAH), congestive heart failure, conditions resulting from excessive water retention, cardiovascular disease, diabetes, oxidative stress, endothelial dysfunction, cirrhosis, pre-eclampsia, osteoporosis or nephropathy.

  一种具有下列结构的化合物：用于治疗高血压、肺动脉高压症（PAH）、充血性心力衰竭、由过度水潴留引起的疾病、心血管疾病、糖尿病、氧化应激、内皮功能障碍、肝硬化、先兆子痫、骨质疏松症或肾病。
• DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20140088048A1

  公开（公告）日：2014-03-27

  A compound having the structure or a pharmaceutically acceptable salt thereof, wherein R 6 is hydrogen, —OH, —C 1-6 alkyl, —OC 1-6 alkyl, aryl, or halogen, or together with R 7 , forms an oxo group, or together with R 7 and the atom to which they are attached, form a 5-7-membered carbocycle ring or a 5-7-membered heterocyclic ring having 1, 2, or 3 heteroatoms, wherein alkyl and aryl are unsubstituted or independently mono-, di-, or tri-substituted with R 14 ; R 7 is hydrogen, C 1-6 alkyl, —CF 3 , aryl, —O-aryl, —O—C 1-6 alkyl, —C(O)OC 1-6 alkyl, —C(R 15 R 16 )OH, a 5-7-membered heteroaryl having 1, 2, 3 or 4 nitrogen atoms, or halogen, or together with R 6 , forms an oxo group, or together with R 6 and the atom to which they are attached, form a 5-7-membered carbocycle ring or a 5-7-membered heterocyclic ring having 1, 2, or 3 heteroatoms wherein alkyl, aryl and heteroaryl are unsubstituted or independently mono-, di- or tri-substituted with R 14 ; R 12 is hydrogen, C 1-6 alkyl, or —(CH 2 ) 1-2 OH, or together with R 13 and the nitrogen atom to which they are attached, form a 4- to 7-membered heterocyclic ring containing one nitrogen atom and 0 or 1 oxygen atoms, wherein said ring is unsubstituted or independently mono-, di- or tri-substituted with halogen or —C 1-6 alkyl; R 13 is —C 1-6 alkyl or —(CH 2 ) 1-2 OH, or together with R 12 and the nitrogen atom to which they are attached, form a 4- to 7-membered heterocyclic ring containing one nitrogen atom and 0 or 1 oxygen atoms, wherein said ring is unsubstituted or independently mono-, di- or tri-substituted with halogen or —C 1-6 alkyl.

  一种具有以下结构或其药学上可接受的盐的化合物，其中R6为氢、—OH、—C1-6烷基、—OC1-6烷基、芳基或卤素，或与R7一起形成氧代基团，或与R7和它们所连接的原子一起形成一个含有1、2或3个杂原子的5-7元环烷基环或5-7元杂环烷基环，其中烷基和芳基未被取代或独立地单取代、双取代或三取代为R14；R7为氢、C1-6烷基、—CF3、芳基、—O-芳基、—O—C1-6烷基、—C(O)OC1-6烷基、—C(R15R16)OH、含有1、2、3或4个氮原子的5-7元杂芳基或卤素，或与R6一起形成氧代基团，或与R6和它们所连接的原子一起形成一个含有1、2或3个杂原子的5-7元环烷基环或5-7元杂环烷基环，其中烷基、芳基和杂芳基未被取代或独立地单取代、双取代或三取代为R14；R12为氢、C1-6烷基或—(CH2)1-2OH，或与R13和它们所连接的氮原子一起形成一个含有1个氮原子和0或1个氧原子的4-7元杂环烷基环，其中该环未被取代或独立地单取代、双取代或三取代为卤素或—C1-6烷基；R13为—C1-6烷基或—( )1-2OH，或与R12和它们所连接的氮原子一起形成一个含有1个氮原子和0或1个氧原子的4-7元杂环烷基环，其中该环未被取代或独立地单取代、双取代或三取代为卤素或—C1-6烷基。
• DIAZENIUMDIOLATE CYCLOPENTYL DERIVATIVES
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2533644B1

  公开（公告）日：2017-01-18