2-甲基-2-丙基[(2R)-4-氨基-4-氧代-2-丁烷基]氨基甲酸酯 | 159877-48-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-甲基-2-丙基[(2R)-4-氨基-4-氧代-2-丁烷基]氨基甲酸酯
• 英文名称: tert-butyl (R)-(4-amino-4-oxobutan-2-yl)carbamate
• 英文别名: (R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanamide；Carbamic acid, (3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (R)-；tert-butyl N-[(2R)-4-amino-4-oxobutan-2-yl]carbamate
• CAS: 159877-48-2
• 化学式: C₉H₁₈N₂O₃
• 分子量: 202.254
• InChiKey: RHTSOFOGPVTVGP-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基[(2R)-4-氨基-4-氧代-2-丁烷基]氨基甲酸酯 在 2,4-双(4-苯氧苯基)-1,3-二硫杂-2,4-二磷杂环丁烷-2,4-二硫化物 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到2-甲基-2-丙基(4-氨基-4-硫代-2-丁烷基)氨基甲酸酯
  参考文献：
  名称：

  BMS-187257, a potent, selective, and novel heterocyclic β3 adrenergic receptor agonist

  摘要：

  Novel heterocyclic beta(3) adrenergic receptor agonists(2) were prepared and evaluated for their ability to bind to human beta(1), beta(2), and beta(3) adrenergic receptors. Stimulatory effects on the beta(3) adrenergic receptor were also measured. BMS-187257 (4b) was found to be a potent and selective beta(3) agonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00417-9
• 作为产物：
  描述：

  (3R)-3-[[(1,1-二甲基乙炔氧基)羰基]氨基]-丁酸 在 ammonium hydroxide 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙腈 为溶剂， 以95%的产率得到2-甲基-2-丙基[(2R)-4-氨基-4-氧代-2-丁烷基]氨基甲酸酯
  参考文献：
  名称：

  BMS-187257, a potent, selective, and novel heterocyclic β3 adrenergic receptor agonist

  摘要：

  Novel heterocyclic beta(3) adrenergic receptor agonists(2) were prepared and evaluated for their ability to bind to human beta(1), beta(2), and beta(3) adrenergic receptors. Stimulatory effects on the beta(3) adrenergic receptor were also measured. BMS-187257 (4b) was found to be a potent and selective beta(3) agonist. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00417-9

文献信息

• Alkylaminoalkyl-sulfonyl-terminated Beta-alanineamide amino-diol compounds for treatment of hypertension
  申请人：——

  公开号：US20010011101A1

  公开（公告）日：2001-08-02

  Compounds characterized generally as alkylaminoalkyl-terminated &bgr;-alanineamide amino diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of the formula 1 wherein n is two or three; wherein x is a number selected from zero, one and two; wherein R 2 is selected from hydrido, methyl, ethyl and phenyl; wherein R 3 is selected from hydrido, cyclohexylmethyl, benzyl, fluorobenzyl, chlorobenzyl, napthylmethyl, fluoronaphthylmethyl and chloronaphthylmethyl; wherein R 5 is methyl; wherein R 7 is cyclohexylmethyl; wherein R 8 is selected from n-propyl, isobutyl, cyclopropyl, cyclopropylmethyl, allyl and vinyl; and wherein each of R 9 and R 10 is a group independently selected from methyl, ethyl and isopropyl; or a pharmaceutically-acceptable salt thereof.

  通常被描述为烷基氨基烷基-终止的β-丙氨酸酰胺氨基二醇衍生物的化合物，可用于治疗高血压的肾素抑制剂。特别感兴趣的化合物是式1中的化合物，其中n为二或三；其中x是从零、一和二中选择的数字；其中R2从氢基、甲基、乙基和苯基中选择；其中R3从氢基、环己基甲基、苄基、氟苄基、氯苄基、萘基甲基、氟萘基甲基和氯萘基甲基中选择；其中R5为甲基；其中R7为环己基甲基；其中R8从正丙基、异丁基、环丙基、环丙基甲基、烯丙基和乙烯中选择；其中R9和R10各自是独立选择的甲基、乙基和异丙基基团；或其药学上可接受的盐。
• Non-peptidyl beta-succinamidoacyl aminodiols as anti-hypertensive agents
  申请人：G.D. Searle & Co.

  公开号：EP0310072A2

  公开（公告）日：1989-04-05

  Non-peptidyl compounds characterized generally as β-succinamidoacyl aminodiols are useful as renin inhibitors for the treatment of hypertension.

  一般表征为 β-琥珀酰胺酰氨基二醇的非肽类化合物可用作治疗高血压的肾素抑制剂。
• Aminoalkylaminocarbonyl aminodiol amino acid derivatives as anti-hypertensive agents
  申请人：G.D. Searle & Co.

  公开号：EP0349922A2

  公开（公告）日：1990-01-10

  Non-peptidyl compounds characterized generally as aminoalkylaminocarbonyl aminodiol derivatives of amino acids are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are of the formula wherein X is selected from oxygen atom and methylene; wherein each of R1 and R9 is independently selected from hydrido, methyl, ethyl, t-butyloxycarbonyl; and methoxymethylcarbonyl; wherein R2 is selected from hydrido, methyl, ethyl and isopropyl; wherein R3 is selected from benzyl, phenethyl, pyridylmethyl and 2-pyridylethyl; wherein each of R4 and R6 is independently selected from hydrido and methyl; wherein R7 is cyclohexylmethyl; wherein R8 is isobutyl; wherein each of R11 and R12 is hydrido; wherein m is zero or one and n is a number selected from zero through five; or a pharmaceutically-acceptable salt thereof; with the proviso that where m is zero, then Rs is selected from imidazolemethyl, thiazolemethyl and isobutyl; and with the further proviso that when m is one, then Rs is methyl or ethyl.

  一般表征为氨基酸的氨基烷基氨基羰基氨基二醇衍生物的非肽类化合物可作为治疗高血压的肾素抑制剂。特别令人感兴趣的化合物如下式所示 其中 X 选自氧原子和亚甲基；其中 R1 和 R9 各自独立地选自水缩基、甲基、乙基、叔丁氧基羰基和甲氧基甲基羰基；其中 R2 选自水缩基、甲基、乙基和异丙基；其中 R3 选自苄基、苯乙基、吡啶甲基和 2-吡啶乙基；其中 R4 和 R6 各自独立地选自水缩基和甲基；其中 R7 是环己基甲基；其中 R8 是异丁基；其中 R11 和 R12 各自是氢rido；其中 m 是零或一，n 是选自零到五的数字；或其药学上可接受的盐；但条件是，当 m 为零时，Rs 选自咪唑甲基、噻唑甲基和异丁基；进一步的条件是，当 m 为一时，Rs 是甲基或乙基。
• Etheral n-terminal aminodiol amino acid derivatives as anti-hypertensive agents
  申请人：G.D. Searle & Co.

  公开号：EP0349921A2

  公开（公告）日：1990-01-10

  Non-peptidyl compounds characterized generally as ethereal N-terminal aminodiol derivatives of amino acids are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are of the ormula wherein X is selected from oxygen atom and methylene; wherein R1 is selected from methyl, ethyl, t-butyloxycarbonyl and 2-(N-piperidinyl)ethyl; wherein R2 is selected from hydrido, methyl, ethyl and isopropyl; wherein R3 is selected from benzyl, phenethyl, pyridylmethyl and 2-pyridylethyl; wherein each of R4. and R6 is independently selected from hydrido and methyl; wherein R7 is cyclohexylmethyl; wherein R8 is isobutyl; wherein each of Rg and R1 is hydrido; wherein m is zero or one and n is a number selected from zero through five; or a pharmaceutically-acceptable salt thereof; with the proviso that where m is zero, then Rs is selected from imidazolemethyl, thiazolemethyl and isobutyl; and with the further proviso that when m is one, then Rs is methyl or ethyl.

  一般表征为氨基酸乙醚 N-末端氨基二醇衍生物的非肽类化合物是治疗高血压的肾素抑制剂。特别感兴趣的化合物如下 其中 X 选自氧原子和亚甲基； 其中 R1 选自甲基、乙基、叔丁氧羰基和 2-(N-哌啶基)乙基； 其中 R2 选自氢rido、甲基、乙基和异丙基； 其中 R3 选自苄基、苯乙基、吡啶甲基和 2-吡啶乙基； 其中 R4.和 R6 独立地选自水rido 和甲基； 其中 R7 是环己基甲基； 其中 R8 是异丁基； 其中 Rg 和 R1 各自是水rido； 其中 m 是 0 或 1，n 是选自 0 到 5 的数字；或其药学上可接受的盐；但当 m 为零时，Rs 选自咪唑甲基、噻唑甲基和异丁基；当 m 为 1 时，Rs 为甲基或乙基。
• Poly(aminoalkyl)aminocarbonyl aminoacyl aminodiol amino acid derivatives as anti-hypertensive agents
  申请人：G.D. Searle & Co.

  公开号：EP0355331A2

  公开（公告）日：1990-02-28

  Non-peptidyl compounds characterized generally as poly(aminoalkyl)aminocarbonyl aminoacyl aminodiol derivitives of amino acids are useful as resin inhibitors for the treatment of hypertension. Compounds of particular interest are of the formula wherein X is selected from oxygen atom and methylene; wherein each of R9 and Rio is independently selected from hydrido, ethyl and methyl; wherein Rg and R10 may be taken together to form a heterocyclic ring having five or six ring atoms and containing one or two nitrogen atoms as ring atoms; wherein each of R, and R2 is independently selected from hydrido, methyl, ethyl and isopropyl; wherein R3 is selected from benzyl, phenethyl, pyridylmethyl and 2-pyridylethyl; wherein each of R4 and R6 is hydrido; wherein R7 is cyclohexylmethyl; wherein R8 is selected from with the carbon bearing the hydroxyl radical being in the S configuration; wherein R16 is selected from isopropyl, n-propyl, n-butyl and isobutyl; wherein each of R11, R12, R14 and R, s is hydrido; wherein m is zero or one and each of n and p is a number independently selected from zero through three; or a pharmaceutically-acceptable salt thereof; with the proviso that where m is zero, then Rs is selected from imidazolemethyl, thiazolemethyl and isobutyl; and with the further proviso that when m is one, then Rs is methyl or ethyl.

  一般表征为氨基酸的聚(氨基烷基)氨基羰基氨基酰氨基二醇衍生物的非肽基化合物可用作治疗高血压的树脂抑制剂。特别感兴趣的化合物如下式所示 其中 X 选自氧原子和亚甲基； 其中 R9 和 Rio 各自独立地选自肼基、乙基和甲基； 其中 Rg 和 R10 可结合在一起形成具有五个或六个环原子并含有一个或两个氮原子作为环原子的杂环；其中 R 和 R2 各自独立地选自水rido、甲基、乙基和异丙基； 其中 R3 选自苄、苯乙基、吡啶甲基和 2-吡啶乙基； 其中 R4 和 R6 各自为水rido； 其中 R7 为环己基甲基； 其中 R8 选自 其中 R16 选自异丙基、正丙基、正丁基和异丁基； 其中 R11、R12、R14 和 R, s 中的每一个都是氢rido； 其中 m 是 0 或 1，n 和 p 中的每一个都是独立地选自 0 到 3 的数字；或其药学上可接受的盐；但当 m 为零时，Rs 选自咪唑甲基、噻唑甲基和异丁基；当 m 为一时，Rs 为甲基或乙基。