phenylmethyl α-[[[2-(dimethylamino)ethyl]thio]methyl]benzene-propanoate | 168965-12-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenylmethyl α-[[[2-(dimethylamino)ethyl]thio]methyl]benzene-propanoate
• 英文别名: Phenylmethyl alpha-[[[2-(dimethylamino)ethyl]thio]methyl]benzenepropanoate；benzyl 2-benzyl-3-[2-(dimethylamino)ethylsulfanyl]propanoate
• CAS: 168965-12-6
• 化学式: C₂₁H₂₇NO₂S
• 分子量: 357.517
• InChiKey: WMVLMIZJGOIRIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  benzyl 2-benzylacrylate 、 2-甲胺乙硫醇盐酸盐 、 哌啶 、 苄基三甲基氢氧化铵 在 氩 、 silica gel 、 二氯甲烷 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 phenylmethyl α-[[[2-(dimethylamino)ethyl]thio]methyl]benzene-propanoate
  参考文献：
  名称：

  Alkylaminoalkyl-sulfonyl-terminated &bgr;-alanineamide amino-diol compounds for treatment of hypertension

  摘要：

  通常被描述为烷基氨基烷基-终止的&bgr;-丙氨酸酰胺氨基醇衍生物化合物，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中n为二或三的化合物；其中x是从零、一和二中选择的数字；其中R2从氢化物、甲基、乙基和苯基中选择；其中R3从氢化物、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是甲基；其中R7是环己基甲基；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各自是甲基、乙基和异丙基中独立选择的基团；或其药学上可接受的盐。

  公开号：

  US06403648B2

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。
• Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl
  申请人：G. D. Searle & Co.

  公开号：US05414018A1

  公开（公告）日：1995-05-09

  Compounds characterized generally as alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula II: ##STR1## wherein q is two or three; wherein r is zero or two; wherein R.sup.2 is selected from hydrido, methyl, ethyl and phenyl; wherein R.sup.3 is selected from hydrido, cyclohexylmethyl, benzyl, fluorobenzyl, chlorobenzyl, fluoronaphthylmethyl and chloronaphthylmethyl; wherein R.sup.5 is propargyl or a propargyl containing moiety; wherein R.sup.7 is cyclohexylmethyl; wherein R.sup.8 is selected from n-propyl, isobutyl, cyclopropyl, cyclopropylmethyl, allyl and vinyl; and wherein each of R.sup.12 and R.sup.13 is a group independently selected from methyl, ethyl and isopropyl; or a pharmaceutically-acceptable salt thereof.

  一般被描述为烷基氨基烷基终止的含硫/磺酰基丙炔基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公式II的化合物：## STR1 ##其中q为二或三；其中r为零或二；其中R.sup.2选自氢基，甲基，乙基和苯基；其中R.sup.3选自氢基，环己基甲基，苯甲基，氟苯甲基，氯苯甲基，氟萘基甲基和氯萘基甲基；其中R.sup.5为丙炔基或含丙炔基的基团；其中R.sup.7为环己基甲基；其中R.sup.8选自正丙基，异丁基，环丙基，环丙基甲基，烯丙基和乙烯基；其中R.sup.12和R.sup.13中的每一个都是独立选择的甲基，乙基和异丙基的基团；或其药学上可接受的盐。
• Alkylaminoalkyl-sulfonyl-terminated .beta.-alanineamide amino-diol
  申请人：G. D. Searle & Co.

  公开号：US05432201A1

  公开（公告）日：1995-07-11

  Compounds characterized generally as alkylaminoalkyl-terminated .beta.-alanineamide amino diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of the formula ##STR1## wherein n is two or three; wherein x is a number selected from zero, one and two; wherein R.sup.2 is selected from hydrido, methyl, ethyl and phenyl; wherein R.sup.3 is selected from hydrido, cyclohexylmethyl, benzyl, fluorobenzyl, chlorobenzyl, napthylmethyl, fluoronaphthylmethyl and chloronaphthylmethyl; wherein R.sup.5 is methyl; wherein R.sup.7 is cyclohexylmethyl; wherein R.sup.8 is selected from n-propyl, isobutyl, cyclopropyl, cyclopropylmethyl, allyl and vinyl; and wherein each of R.sup.9 and R.sup.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-末端.beta.-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酶抑制剂。特别感兴趣的化合物是公式##STR1##中的那些，其中n为二或三；其中x是从零，一和二中选择的数字；其中R.sup.2从氢基，甲基，乙基和苯基中选择；其中R.sup.3从氢基，环己基甲基，苯甲基，氟苯甲基，氯苯甲基，萘基甲基，氟萘基甲基和氯萘基甲基中选择；其中R.sup.5是甲基；其中R.sup.7是环己基甲基；其中R.sup.8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R.sup.9和R.sup.10中的每一个是独立选择的甲基，乙基和异丙基基团；或其药学上可接受的盐。
• Alkylaminoalkyl-terminated sulfide/sulfonyl-containing
  申请人：G. D. Searle & Co.

  公开号：US05416119A1

  公开（公告）日：1995-05-16

  Compounds characterized generally as alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkylalkyl alanine amino-diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula II: ##STR1## wherein m is two or three; wherein x is zero or two; wherein R.sup.2 is selected from hydrido, methyl, ethyl and phenyl; wherein R.sup.3 is selected from hydrido, cyclohexylmethyl, benzyl, fluorobenzyl, chlorobenzyl, fluoronaphthylmethyl and chloronaphthylmethyl; wherein R.sup.5 is selected from cycloalkylalkyl groups containing from three to about twelve carbon atoms; wherein R.sup.7 is cyclohexylmethyl; wherein R.sup.8 is selected from n-propyl, isobutyl, cyclopropyl, cyclopropylmethyl, allyl and vinyl; and wherein each of R.sup.9 and R.sup.10 is a group independently selected from methyl, ethyl and isopropyl; or a pharmaceutically-acceptable salt thereof.

  一般被描述为烷基氨基烷基-终止的含硫/磺酸基环烷基烷基丙氨酸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公式II的化合物：其中m为二或三; 其中x为零或二; 其中R.sup.2选择自氢，甲基，乙基和苯基; 其中R.sup.3选择自氢，环己基甲基，苄基，氟苄基，氯苄基，氟萘基甲基和氯萘基甲基; 其中R.sup.5选择自含有三到约十二个碳原子的环烷基烷基; 其中R.sup.7为环己基甲基; 其中R.sup.8选择自正丙基，异丁基，环丙基，环丙基甲基，烯丙基和乙烯基; 其中R.sup.9和R.sup.10中的每个都是独立选择的甲基，乙基和异丙基的基团; 或其药学上可接受的盐。
• Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension
  申请人：G.D. Searle & Co.

  公开号：US20020010214A1

  公开（公告）日：2002-01-24

  Compounds characterized generally as alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula II: 1 wherein q is two or three; wherein r is zero or two; wherein R 2 is selected from hydrido, methyl, ethyl and phenyl; wherein R 3 is selected from hydrido, cyclohexylmethyl, benzyl, fluorobenzyl, chlorobenzyl, fluoronaphthylmethyl and chloronaphthylmethyl; wherein R 5 is propargyl or a propargyl containing moiety; wherein R 7 is cyclohexylmethyl; wherein R 8 is selected from n-propyl, isobutyl, cyclopropyl, cyclopropylmethyl, allyl and vinyl; and wherein each of R 12 and R 13 is a group independently selected from methyl, ethyl and isopropyl; or a pharmaceutically-acceptable salt thereof.

  一般被描述为烷基氨基烷基-终止的含硫/磺酰基丙炔基氨基二醇衍生物的化合物可用于治疗高血压的酶抑制剂。特别感兴趣的化合物是公式II：其中q为二或三；其中r为零或二；其中R2选自氢基，甲基，乙基和苯基；其中R3选自氢基，环己基甲基，苯甲基，氟苯甲基，氯苯甲基，氟萘甲基和氯萘甲基；其中R5为丙炔基或含丙炔基的基团；其中R7为环己基甲基；其中R8选自正丙基，异丁基，环丙基，环丙基甲基，烯丙基和乙烯基；其中R12和R13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。