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十羟基二甲基丙烯酸酯 | 945-43-7

中文名称
十羟基二甲基丙烯酸酯
中文别名
2-氨基-6,7-二甲基-4-羟基-5,6,7,8-四氢伯啶盐酸盐
英文名称
6,7-dimethyl-5,6,7,8-tetrahydropterin dihydrochloride
英文别名
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one;chloride
十羟基二甲基丙烯酸酯化学式
CAS
945-43-7;21248-26-0;53827-59-1;66547-54-4;66547-55-5;102069-95-4
化学式
C8H13N5O*2ClH
mdl
——
分子量
268.146
InChiKey
GIHYTRGUZVYCQX-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

物化性质

  • 熔点:
    244-247 °C (dec.)(lit.)

计算性质

  • 辛醇/水分配系数(LogP):
    0.8
  • 重原子数:
    15
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    91.5
  • 氢给体数:
    5
  • 氢受体数:
    4

安全信息

  • 危险品标志:
    Xi
  • 安全说明:
    S24/25
  • 危险类别码:
    R36/37/38
  • WGK Germany:
    3

SDS

SDS:b2b9161e1290f369f4b3df989dea1a6e
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反应信息

  • 作为反应物:
    描述:
    十羟基二甲基丙烯酸酯双氧水 、 potassium iodide 作用下, 以 为溶剂, 反应 0.08h, 以10%的产率得到6,7-dimethyldihydropterin hydrogen sulfate
    参考文献:
    名称:
    Synthesis of quinonoid 6-methyl- and 6,7-dimethyldihydropterins 1
    摘要:
    DOI:
    10.1016/s0040-4039(00)98709-4
  • 作为产物:
    参考文献:
    名称:
    铜 (II) 和蝶呤辅因子模型之间氧化还原反应的光谱证据,6,7-二甲基-5,6,7,8-四氢蝶呤
    摘要:
    用光谱方法研究了 Cu(II) 与 6,7-二甲基-5,6,7,8-四氢蝶呤二盐酸盐 (H4DMP·2HCl) 在 CH3OH-CH3CN 中的反应。通过质子化三氢蝶呤自由基(H4DMP•+)及其歧化产物的检测,建立了1:1 Cu(II)-H4DMP·2HCl体系中的氧化还原反应。
    DOI:
    10.1246/cl.1994.385
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文献信息

  • Suicide inactivation of tyrosinase in its action on tetrahydropterines
    作者:Jose Luis Muñoz-Muñoz、Francisco Garcia-Molina、Enrique Arribas、Pedro Antonio Garcia-Ruíz、Jose Tudela、Francisco Garcia-Cánovas、Jose Neptuno Rodríguez-López
    DOI:10.3109/14756366.2010.548811
    日期:2011.10.1
    terin (DMBH(4)) are oxidized by tyrosinase in a process during which the suicide inactivation of tyrosinase may occur. From the kinetic study of this process, [Formula: see text] (apparent maximum constant for the suicide inactivation), [Formula: see text] (Michaelis constant for the substrate) and r (number of turnovers that the enzyme makes before the inactivation) can be obtained. From the results
    四氢生物蝶呤(BH(4)),甲基四氢蝶呤(MBH(4))和二甲基四氢蝶呤(DMBH(4))在可能发生酪氨酸酶自杀自杀的过程中被酪氨酸酶氧化。通过此过程的动力学研究,[公式:参见文字](自杀灭活的表观最大常数),[公式:参见文字](底物的米迦勒常数)和r(酶在灭活前的周转次数) ) 可以获得。从获得的结果中,可以推论出由([公式:参见文本])控制的灭活速度及其效价([公式:参见文本])遵循以下顺序:BH(4)> MBH( 4)> DMBH(4)。
  • Compositions comprising a polypeptide having cellulolytic enhancing activity and a nitrogen-containing compound and uses thereof
    申请人:Novozymes, Inc.
    公开号:US10087478B2
    公开(公告)日:2018-10-02
    The present invention relates to compositions comprising: a polypeptide having cellulolytic enhancing activity and a nitrogen-containing compound. The present invention also relates to methods of using the compositions.
    本发明涉及包含以下成分的组合物:具有增强纤维素分解活性的多肽和含氮化合物。本发明还涉及使用这些组合物的方法。
  • Microbial approach for the production of 5-hydroxytryptophan
    申请人:UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC.
    公开号:US10266859B2
    公开(公告)日:2019-04-23
    5-hydroxytryptophan (5-HTP), a precursor of serotonin, is produced in a microbial host cell. A modified bacterial phenylalanine 4-hydroxylase (P4H) catalyzes the tryptophan 5-hydroxylation reaction. Optionally the host cell includes a cofactor regeneration mechanism, allowing continuous production of 5-HTP without supplementation of exogenous cofactors.
    血清素的前体--5-羟色氨酸(5-HTP)是在微生物宿主细胞中产生的。改良的细菌苯丙氨酸 4-羟化酶(P4H)催化色氨酸 5-羟化反应。宿主细胞可选择包括辅助因子再生机制,从而可持续生产 5-HTP,而无需补充外源辅助因子。
  • Tetrahydropterin Reactions of Dioxo-Molybdenum(6+) Complexes: Does Redox Occur?
    作者:Sharon J. Nieter Burgmayer、Michelle R. Arkin、Laura Bostick、Sara Dempster、Kristin M. Everett、Heather L. Layton、Kateri E. Paul、Cory Rogge、Arnold L. Rheingold
    DOI:10.1021/ja00126a020
    日期:1995.5
    This report describes out continued investigation of reactions between tetrahydropterins and dioxomolybdenum complexes. We report the results of structural, reactivity, and theoretical experiments that indicate these reduced molybdenum-pterin complexes are better described as Mo(6+)-H(4)pterin rather than Mo(4+)-H(2)pterin as previously assigned. Both Mulliken charges calculated using the extended Huckel molecular orbital method and the bond valence sum method predict a formal molybdenum oxidation state midway between 5+ and 6+. The complexes Mo2O4Cl2(tetrahydro-6,7-dimethylpterin)(2), MoOCl3(tetrahydro-6,7-dimethylpterin), and MoOCl2(tetrahydro-6-(hydroxymethyl)pterin)(diethyldithiocarbaate) have been characterized by H-1 NMR, IR, UV/vis, and conductivity measurements. The X-ray crystal structure is reported for Mo2O4Cl2(tetrahydro-6,7-dimethylpterin)(2) . 4DMF. Inner coordination sphere bond distances indicate substantial electron density is donated from the pterin N(5) to Mo. These complexes undergo solvation and ligand substitution reactions. It is shown that solvation is associated with acid-base reactions at the tetrahydropterin ligands. The molybdenum-tetrahydropterin complexes show a variety of reactivities toward the oxidants O-2, 2,6-dichloroindophenol, and dimethyl sulfoxide. This study shows that tetrahydropterin has a high affinity to chelate Mo(6+) if one of the two oxo ligands is removed and that coordination to molybdenum stabilizes tetrahydropterins toward oxidation. Results from this study also suggest that dioxo-Mo(VI) coordination to tetrahydropterin is unlikely.
  • Pteridines CXX. Synthesis and Properties of Tetrahydropterins Coupled to 1,4-Dihydropyridines
    作者:Wolfgang Pfleiderer、Joachim Rehse
    DOI:10.3987/com-08-s(f)70
    日期:——
    N(2)-Isobutyroyl-5,6,7,8-tetrahydropterins (6-10) have been coupled with nicotinic acid to form the N(5)-nicotinoyl derivatives 11-15. Quaternization at the pyridine moiety led to 19-31 which can be reduced to the corresponding N-substituted 1,4-dihydropyridine dertivatives 35-39. Partial deacylation of the isobutyroyl group afforded the various types of terahydropterins 16-18, 32-34 and 40-42. The newly synthesized 5,6,7,8-tetrahydropterin derivatives have been characterized by pK(a)-determinations, UV- and NMR-spectra as well as elemental analyses.
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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