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ochratoxin A | 1192475-62-9

中文名称
——
中文别名
——
英文名称
ochratoxin A
英文别名
Antibiotic 9663;2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid
ochratoxin A化学式
CAS
1192475-62-9
化学式
C20H18ClNO6
mdl
——
分子量
403.819
InChiKey
RWQKHEORZBHNRI-UHFFFAOYSA-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):
    4.7
  • 重原子数:
    28
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    113
  • 氢给体数:
    3
  • 氢受体数:
    6

文献信息

  • [EN] QUINOLINYL-PYRAZINE-CARBOXAMIDE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE QUINOLINYL-PYRAZINE-CARBOXAMIDE ET UTILISATIONS ASSOCIÉES
    申请人:UNIV MICHIGAN REGENTS
    公开号:WO2020132459A1
    公开(公告)日:2020-06-25
    This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having a quinolinyl-pyrazine-carboxamide (or similar) structure which function as activators of the cholesterol biosynthesis pathway within cancer cells and/or immune cells, which function as activators of the cell cycle regulation pathway within cancer cells and/or immune cells, and which function as up-regulators of HMGCS1 protein expression within cancer cells and/or immune cells, and which function as effective therapeutic agents for treating, ameliorating, and preventing various forms of cancer and other inflammatory disease.
    这项发明属于药物化学领域。具体来说,该发明涉及一类新型小分子,其具有喹啉基-吡嗪-羧酰胺(或类似)结构,其在癌细胞和/或免疫细胞内作为胆固醇生物合成途径的激活剂,作为癌细胞和/或免疫细胞内细胞周期调控途径的激活剂,作为癌细胞和/或免疫细胞内HMGCS1蛋白表达的上调剂,以及作为治疗、改善和预防各种癌症和其他炎症性疾病的有效治疗剂。
  • Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods
    申请人:Federoff Howard J.
    公开号:US20080226601A1
    公开(公告)日:2008-09-18
    Disclosed are compositions and methods for reducing the severity of a birth defect in a mammal by exposing the mammal (e.g., in utero) to a herpes virus amplicon particle comprising a cis element-flanked transgene and a sequence encoding a transposase. Upon expression, the transposase inserts the transgene into the genome of a cell (e.g., a neuron) within the mammal and the transgene expresses a polypeptide or RNA that compensates for a protein or gene defect that is causally associated with the birth defect.
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同类化合物

赭曲霉素 赭曲霉毒素A 赭曲霉毒素 C 赭曲霉毒素 A-O-甲基,甲酯 N-[(R)-3,4-二氢-8-羟基-3alpha-甲基-1-氧代-1H-2-苯并吡喃-7-基]羰基-L-苯基丙氨酸乙酯 N-[(5-氯-3,4-二氢-8-羟基-3-甲基-1-氧代-1H-2-苯并吡喃-7-基)羰基]-L-苯基丙氨酸甲酯 Ochratoxin A methyl ester tert-butyl N-((5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-yl)carbonyl)-L-phenylalaninate 10-Hydroxyochratoxin A (4R)-hydroxyochratoxin A L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)tyrosine Ochratoxin tc L-Phenylalanine, N-((3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (3R-trans)- Ochratoxin B-[d5] ochratoxin B methyl ester N-{[(3RS)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]-carbonyl}-L-phenylalanine ochratoxin B methyl ester (S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxamido)-3-phenylpropanoate (2R)-2-[[(3S)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid Ethyl 2-([(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino)-3-phenylpropanoate (+)-N-([(3S)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-yl]carbonyl)-L phenylalanine ochratoxin A ochratoxin hydroquinone ochratoxin A 2,3,4-Trihydroxybutyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate ochratoxin A Methyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate ochratoxin B ethyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoate 2-[(5-Chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid Methyl 2-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate