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(4R,5S)-4-<<(benzyloxy)carbonyl>amino>-5-methyl-3-oxoheptanoic acid, (1S,2S,3R)-4-<(tert-butyldimethylsilyl)oxy>-1-isopropyl-2-(methoxymethoxy)-3-methylbutyl ester | 126587-55-1

中文名称
——
中文别名
——
英文名称
(4R,5S)-4-<<(benzyloxy)carbonyl>amino>-5-methyl-3-oxoheptanoic acid, (1S,2S,3R)-4-<(tert-butyldimethylsilyl)oxy>-1-isopropyl-2-(methoxymethoxy)-3-methylbutyl ester
英文别名
[(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-yl] (4R,5S)-5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)heptanoate
(4R,5S)-4-<<(benzyloxy)carbonyl>amino>-5-methyl-3-oxoheptanoic acid, (1S,2S,3R)-4-<(tert-butyldimethylsilyl)oxy>-1-isopropyl-2-(methoxymethoxy)-3-methylbutyl ester化学式
CAS
126587-55-1
化学式
C32H55NO8Si
mdl
——
分子量
609.876
InChiKey
MLVWEPXEPHMZFQ-SJPWSNGQSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    6.5
  • 重原子数:
    42
  • 可旋转键数:
    21
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.72
  • 拓扑面积:
    109
  • 氢给体数:
    1
  • 氢受体数:
    8

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • Synthesis of New Didemnin B Analogs for Investigations of Structure/Biological Activity Relationships
    作者:Scott C. Mayer、Joshi Ramanjulu、Matthew D. Vera、Amy J. Pfizenmayer、Madeleine M. Joullie
    DOI:10.1021/jo00097a022
    日期:1994.9
    Modifications were introduced in the side chain of didemnin B to afford several analogs (1f-1j) for biological testing in order to identify the features responsible for the bioactivity of the natural products (1a-1c). To achieve our goal, two changes were made in the proline ring of the beta-turn side chain. Initially, a hydroxyl group was incorporated at the C-4 position of the ring to increase the polar nature of the molecule. Secondly, unsaturation was introduced at C-3 and C-4 to increase the rigidity of the ring and to provide a site for tritiation to follow the drug pathway in biological systems. Improvements were also introduced in the macrocycle construction to produce gram quantities of this unit (1d) for the preparation of the planned analogs. The linear precursor to the macrocycle was oxidized more effectively with 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one (Dess-Martin periodinane reagent), and cyclization yields were increased substantially by using a new coupling reagent, pentafluorophenyl diphenylphosphinate (FDPP). (1H-1,2,3-benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate (BOP) and pentafluorophenyl trifluoroacetate were also used to improve other coupling reactions.
  • EWING, WILLIAM R.;HARRIS, BRUCE D.;LI, WEN-REN;JOULLIE, MADELEINE M., TETRAHEDRON LETT., 30,(1989) N9, C. 3757-3760
    作者:EWING, WILLIAM R.、HARRIS, BRUCE D.、LI, WEN-REN、JOULLIE, MADELEINE M.
    DOI:——
    日期:——
  • Synthetic studies of didemnins. IV. Synthesis of the macrocycle
    作者:William R. Ewing、Bruce D. Harris、Wen-Ren Li、Madeleine M. Joullie
    DOI:10.1016/s0040-4039(01)80647-x
    日期:1989.1
    A stereocontrolled route to the 23-membered macrocycle found in the didemnins is described.
    描述了在双氢精蛋白中发现的到23元大环的立体控制途径。
  • Total synthesis and structural investigations of didemnins A, B, and C
    作者:Wen Ren Li、William R. Ewing、Bruce D. Harris、Madeleine M. Joullie
    DOI:10.1021/ja00177a030
    日期:1990.10
    Didemnins A, B, and C were efficiently prepared in a stereocontrolled manner, producing the common macrocycle and, in a separate step, introducing the substituents on the amino group of L-threonine as optically pure units. We envisaged that disconnections between L-leucine and the HIP group (2S,4S) and between L-threonine and isostatine (3S,4R,5S) would afford two units: a HIP-isostatine unit (I) and
    Didemnins A、B 和 C 以立体控制的方式有效制备,产生常见的大环,并在单独的步骤中,在 L-苏氨酸的氨基上引入取代基作为光学纯单元。我们设想 L-亮氨酸和 HIP 基团 (2S,4S) 之间以及 L-苏氨酸和异司他汀 (3S,4R,5S) 之间的断开将提供两个单元:HIP-异司他汀单元 (I) 和四肽单元 (II) )
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同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫 龙胆紫 齐达帕胺 齐诺康唑 齐洛呋胺 齐墩果-12-烯[2,3-c][1,2,5]恶二唑-28-酸苯甲酯 齐培丙醇 齐咪苯 齐仑太尔 黑染料 黄酮,5-氨基-6-羟基-(5CI) 黄酮,6-氨基-3-羟基-(6CI) 黄蜡,合成物 黄草灵钾盐