phosphoric acid O,O'''-(3,7-bis-{1-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-ethylidene}-4,5-dithia-octane-1,8-diyl) ester | 992-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: phosphoric acid O,O'''-(3,7-bis-{1-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-ethylidene}-4,5-dithia-octane-1,8-diyl) ester
• 英文别名: bis-{2-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-1-(2-phosphonooxy-ethyl)-trans-propenyl}-disulfide；Bis-{2-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-1-(2-phosphonooxy-aethyl)-trans-propenyl}-disulfid；thiamine monophosphate disulfide；thiamine disulfide phosphate；Thiamin-disulfid-monophosphat；[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl]disulfanyl]pent-3-enyl] dihydrogen phosphate
• CAS: 992-46-1
• 化学式: C₂₄H₃₆N₈O₁₀P₂S₂
• 分子量: 722.677
• InChiKey: HKQKYZRQBYBWSZ-BMJUYKDLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  46
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  328
• 氢给体数：
  6
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  盐酸硫胺 在 磷酸 作用下， 生成 phosphoric acid O,O'''-(3,7-bis-{1-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-ethylidene}-4,5-dithia-octane-1,8-diyl) ester
  参考文献：
  名称：

  Wachtmeister; Myrbaeck, 1947, # 8, p. 1,5

  摘要：

  DOI：

文献信息

• ANTI-INFLAMMATORY PEPTIDE
  申请人：Sato Kenji

  公开号：US20110183925A1

  公开（公告）日：2011-07-28

  Provided is an anti-inflammatory composition which has a high efficacy, causes no concern about side effects, is easy to ingest, and can also be administered for a long period of time because of its low cost and high safety. The present invention relates to a peptide comprising an amino acid sequence represented by pyroGlu-(X)n-A or a salt thereof, wherein X is independently Gln, Asn, or Pro; A represents Gln, Asn, Leu, Ile, Met, Val, or Phe; and n represents an integer of 0 to 2, and an anti-inflammatory composition comprising the same.

  提供了一种具有高效性、不会引起副作用、易于摄入并且由于成本低和安全性高可以长期使用的抗炎组合物。本发明涉及一种肽，其包含由pyroGlu-(X)n-A或其盐表示的氨基酸序列，其中X独立地表示Gln、Asn或Pro；A表示Gln、Asn、Leu、Ile、Met、Val或Phe；n表示0到2的整数，以及包含其的抗炎组合物。
• STUDIES ON THIAMINE MONOPHOSPHATE DISULFIDE
  作者：TADASHI FUJITA、YOSHITAKA MUSHIKA

  DOI：10.5925/jnsv1954.12.18

  日期：——

  1. The method of Zima for synthesizing thiamine monophosphate disulfide (TMPDS) was studied and improved in several points. 2. The products obtained by the authors were somewhat different in physical and chemical properties. 3. TMPDS was shown to give polymorplism, i.e., α-, β- and γ-forms. They have different color, water of crystallization, decomposition points and infra-red absorption spectra.

  1.对Zima合成二硫化一磷酸硫胺素(TMPDS)的方法进行了研究和改进。 2.作者得到的产品在物理和化学性质上存在一定差异。 3. TMPDS 显示出多态性，即 α-、β- 和 γ- 形式。它们具有不同的颜色、结晶水、分解点和红外吸收光谱。
• PREVENTIVE OR THERAPEUTIC COMPOSITION FOR LIVER DISEASE
  申请人：Sanada Hiroo

  公开号：US20100190723A1

  公开（公告）日：2010-07-29

  This invention provides a composition having preventive and/or therapeutic effects on liver disease, which is highly effective, free of side effects, easily ingestible, and capable of long-term ingestion from the viewpoint of a cost and safety. This invention relates to a peptide having the amino acid sequence represented by the following formula: pyroGlu-(X)n-A, wherein X is the same or different and represents Gln or Asn; A represents Gln, Asn, Leu, Ile, or Val; and n is an integer from 0 to 2 or a salt thereof.

  这项发明提供了一种对肝病具有预防和/或治疗作用的组合物，该组合物具有高度有效、无副作用、易于摄入和从成本和安全性的角度来看能够长期摄入的特点。该发明涉及一种具有以下式子表示的氨基酸序列的肽：pyroGlu-(X)n-A，其中X相同或不同，代表Gln或Asn；A代表Gln、Asn、Leu、Ile或Val；n为0到2的整数或其盐。
• Soap compounded with vitamin B1-containing garlic extract
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0503852A1

  公开（公告）日：1992-09-16

  A composition of soap compounded with a garlic extract containing thiamine, a thiamine derivative having vitamin B₁ activity or a salt thereof is disclosed. The soap is effective for-improving-atopic dermatitis.

  本发明公开了一种与含硫胺素的大蒜提取物、具有维生素 B₁活性的硫胺素衍生物或其盐复配的肥皂组合物。该肥皂可有效改善异位性皮炎。
• ANTI-HIV DRUGS
  申请人：NISSUI PHARMACEUTICAL CO., LTD.

  公开号：EP0830862A1

  公开（公告）日：1998-03-25

  An anti-HIV drug, anti-HIV activity synergist, and AIDS preventive and remedy, each containing as the active ingredient a vitamin B1 derivative such as thiamin disulfide, bisbentiamine, bisbutythiamin, bisibutiamine, alitiamin, fursultiamine or octotiamine, or a salt thereof. These drugs are useful for preventing and treating AIDS, because they have the effect of inhibiting the growth of HIV on early infected cells without killing the cells and both of the cytocidal and HIV-killing effects on the cells that have come to produce HIV continuously.

  一种抗艾滋病毒药物、抗艾滋病毒活性增效剂以及艾滋病预防和治疗药物，每种药物都含有作为活性成分的维生素 B1 衍生物，如二硫化硫胺素、双硫化硫胺素、双丁硫胺素、双布他胺、阿利他胺、呋喃硫胺素或辛硫胺素，或其盐。这些药物可用于预防和治疗艾滋病，因为它们具有抑制艾滋病毒在早期感染细胞上的生长而不杀死细胞的作用，同时对持续产生艾滋病毒的细胞具有杀灭细胞和杀死艾滋病毒的作用。