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    首页 分子通 新对叶百部碱

    新对叶百部碱 | 143120-46-1

    物质功能分类

    天然产物 - 生物碱

    分子结构分类

    有机化合物 - 生物碱及其衍生物 - 百部生物碱
    中文名称
    新对叶百部碱
    中文别名
    ——
    英文名称
    Neotuberostemonine
    英文别名
    (1S,3S,9R,10R,11R,14S,15R,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
    新对叶百部碱化学式
    CAS
    143120-46-1
    化学式
    C22H33NO4
    mdl
    ——
    分子量
    375.5
    InChiKey
    GYOGHROCTSEKDY-UEIGSNQUSA-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

    物化性质

    • 沸点：
      554.2±50.0 °C(Predicted)
    • 密度：
      1.19±0.1 g/cm3(Predicted)
    • 溶解度：
      二甲基亚砜：10mM

    计算性质

    • 辛醇/水分配系数(LogP)：
      3.9
    • 重原子数：
      27
    • 可旋转键数：
      2
    • 环数：
      5.0
    • sp3杂化的碳原子比例：
      0.91
    • 拓扑面积：
      55.8
    • 氢给体数：
      0
    • 氢受体数：
      5

    制备方法与用途

    生物活性方面，Neotuberostemonine 是结核分枝杆菌根中主要的止咳生物碱之一。它通过抑制巨噬细胞的募集和活化来减轻博来霉素 (Bleomycin, HY-17565A) 诱导的肺纤维化。

    化学性质上，该物质可溶于甲醇、乙醇、DMSO 等有机溶剂，并来源于百部（Stemona japonica）。

    文献信息

    • A Use of Alkaloid in Preparing Pharmaceutical Compositions for Preventing or Treating Pulmonary Fibrosis
      申请人：Jiangsu Kanion Parmaceutical Co. Ltd.
      公开号：US20170216306A1
      公开（公告）日：2017-08-03
      A new use of a compound as indicated in structural formula I in preparing medications for preventing and/or treating pulmonary fibrosis includes the compound having the structure as indicated in structural formula 1 that substantially reduces the inflammation of diseased lung tissue, lowers the concentration of fibrosis factors TGF-βI in diseased lung tissue, decreases the excessive deposition of collagen in diseased lung tissue, and has substantial prevention and treatment effectiveness against fibrosis.
    • US9943524B2
      申请人：——
      公开号：US9943524B2
      公开（公告）日：2018-04-17
    查看更多

    同类化合物

    金刚大碱 百部碱 新对叶百部碱 对叶百部碱 (7aR,8R,8aS,11S,11aS,11bR,11cR)-8-乙基十二氢-11-甲基-呋喃并[2,3-h]吡咯并[3,2,1-jk][1]苯并氮杂卓-10(2H)-酮 <3'S-<3'α,9'α(S*),9'aα>>-1',2',3',5',6',7',8'-octahydro-4-methyl-5-oxospiropyrrolo<1,2-a>azepin>-3'-carboxylic acid, hydrobromide salt <3'S-<3'α(S*),9'α(S*),9'aα>>-3'-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-1',2',3',5',6',7',8'-octahydro-4-methylspiropyrrolo<1,2-a>azepin>-5-one stemoamide (2S,4R,3'S,8'R,9a'S,2’’S,4’’S)-8'-methoxy-4-methyl-3’-(4-methyl-5-oxotetrahydrofuran-2-yl)octahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5(4H)-one tuberostemospiroline 2-oxostenine (3aR,10aR,10bR)-octahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepine-2,8(1H)-dione (3aR,9aS,9bR)-3a,6,8,9,9a,9b-Hexahydro-1H-3-oxa-6a-aza-cyclopenta[e]azulene-2,7-dione (2S,3'S,8'R,9a'S)-3'-tert-butyldiphenylsilyloxymethyl-8'-methoxy-1',2',3',7',8',9a'-hexahydro-5H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5,5'(6'H)-dione diethyl (2S,3'S,8'R,9a'S)-3'-tert-butyldiphenylsilyloxymethyl-8'-methoxy-5,5'-dioxo-1',2',3',5',6',7,'8',9a'-octahydro-5H-spiro{furan-2,9'-pyrrolo[1,2-a]azepin-4-yl}phosphonate (2S,4R,3'S,8'R,9a'S,2’’S)-8'-methoxy-4-methyl-3’-(4-methylene-5-oxotetrahydrofuran-2-yl)hexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5,5'(4H,6'H)-dione (2S,4R,3'S,8'R,9a'S,2’’R)-8'-methoxy-4-methyl-3’-(4-methylene-5-oxotetrahydrofuran-2-yl)hexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5,5'(4H,6'H)-dione (1R,2S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxa-6-azatetracyclo[8.6.0.02,6.012,16]hexadec-8-en-5-one 13-desmethyl-5-oxostenine (3aR,10aS)-1-methyl-3a,4,5,6,10,10a-hexahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepine-2,8(9H)-dione (1R,9R,10R,11S,14S,15S,16R)-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecane-5,13-dione 8-des-ethyl-(8S)-allyl-(-)-tuberostemonine didehydrotuberostemonine (-)-4-thiostenine (-)-4-oxostenine (3aR,10aS,10bS)-octahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepine-2,8(1H)-dione (+)-9a-epi-stemoamide (2S,4R,3'S,8'R,9a'S)-3'-hydroxymethyl-8'-methoxy-4-methylhexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5,5'(4H,6'H)-dione isoprotostemonine (1S,2S,3R,4R,6R)-3-hydroxy-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one (1S,3aR,7S,9aS,9bR)-1-methyl-7-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)decahydro-3-oxa-6a-azacyclopenta[e]azulen-2-one 4-methoxy-3-methyl-5-[(2Z,3aR)-1t-methyl-8t-((2S)-4c-methyl-5-oxo-tetrahydrofuran-2r-yl)-(3ar,10at,10bt)-decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene]-5H-furan-2-one 8-epi-stemoamide sessilifoliamide A (2R,3'S,8'R,9a'S)-3'-(tert-butyldiphenylsilyloxy)methyl-8'-methoxy-4-methylenehexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepin}-5,5'(4H,6'H)-dione (2R,3'S,8'R,9a'S)-8'-methoxy-4-methylene-3'-[(2S)-4-methylene-5-oxotetrahydrofuran-2-yl]hexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5,5'(4H,6'H)-dione (2R,3'S,8'R,9a'S)-3'-hydroxymethyl-5,5'-dioxo-8'-methoxy-4-methylenehexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepin}-(4H,6'H)-carbaldehyde (2R,3'S,8'R,9a'S,2''R)-8'-methoxy-4-methylene-3'-[(2S)-4-methylene-5-oxotetrahydrofuran-2-yl]hexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepine}-5,5'(4H,6'H)-dione (2R,3'S,8'R,9a'S)-3'-hydroxymethyl-8'-methoxy-4-methylenehexahydro-3H-spiro{furan-2,9'-pyrrolo[1,2-a]azepin}-5,5'(4H,6'H)-dione protostemonine (3S,9R,10R,11S,15R)-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadec-6-en-13-one Tuberostemonin (1R,4S,10R,11R,12R,15S,16S)-11-ethyl-15-hydroxy-15-methyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-13-oxa-5-azatetracyclo[8.6.0.01,5.012,16]hexadecan-14-one (1R,3S,9R,10R,11S,14S,15S,16R)-3-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]-14-methyl-10-prop-2-enyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one (3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one (1S,2R,3S)-3-methyl-11-[(2S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one (9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one (10S,11S,14R,15R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadeca-1(16),2-dien-13-one

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