O,S-dibenzoylthiamine | 299-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O,S-dibenzoylthiamine
• 英文别名: Dibenzoyl-thiamin；Bentiamine；[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-benzoylsulfanylpent-3-enyl] benzoate
• CAS: 299-88-7
• 化学式: C₂₆H₂₆N₄O₄S
• 分子量: 490.583
• InChiKey: AZJUFRDUYTYIHV-NKFKGCMQSA-N

物化性质

• 熔点：
  173 °C
• 沸点：
  718.2±60.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  8

安全信息

• RTECS号：
  DH6908500
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

制备方法与用途

鉴别试验

熔点为163～174℃（分解），按常规方法测定。此试验与“二硫化苯酰硫胺(01003)”中的鉴别试验1项相同。

取试样30毫克，加入7毫升1%盐酸液，在水浴中加热溶解后，再加入2毫升（3+20）盐酸羟胺溶液与（3+20）氢氧化钠混合液（1:1）。摇匀混匀1分钟后，依次加入0.8毫升盐酸及0.5毫升（1+10）氯化铁溶液，液体应呈现紫色。

含量分析

精确称取预经105℃干燥2小时后的试样约0.4克，加入40毫升甲醇和40毫升0.1摩尔/升盐酸，使溶解。

毒性

LD₅₀约为30克/公斤（小鼠，经口）。

化学性质

二苯甲酰硫胺素为白色结晶性粉末，无臭味。几乎不溶于水，但能溶于酸性水溶液中。对碱相对稳定，在25℃时100毫升水中可溶解1.3克其盐酸盐。

用途

作为食品强化剂，二苯甲酰硫胺素及其盐酸盐属于维生素类，主要用于米面和豆腐的强化。

生产方法

在维生素B1的水溶液中加入氢氧化钠使其成碱性，再与苯甲酰氯反应而得。

反应信息

• 作为反应物：
  描述：

  O,S-dibenzoylthiamine 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-(4-acetyl-phenylazo)-5-(4-acetyl-phenylazomethyl)-4-methyl-thiazole
  参考文献：
  名称：

  Murata; Ueno, 1958, vol. 14, p. 752

  摘要：

  DOI：
• 作为产物：
  描述：

  盐酸硫胺 在 sodium hydroxide 、 水 作用下， 生成 O,S-dibenzoylthiamine
  参考文献：
  名称：

  Gene Expression of Cyclooxygenase in the Aging Heart

  摘要：

  Cyclooxygenase (COX) is the key rate-limiting enzyme in the prostaglandin synthetic pathway. Two isoforms of COX have been identified: a constitutive COX-1 and an inducible COX-2, which is activated in response to various stimuli. We investigated the changes of COX-1 and COX-2 in rat heart during aging. We measured the age-related changes in the mRNA and protein levels of COX by using reverse-transcription polymerase chain reaction and Western blotting, respectively. COX-2 mRNA and protein levels increased with age, whereas those of COX-1 showed no change. The COX activity determined by prostaglandin E-2 production increased with age. Because the COX-catalyzed arachidonate cascade is an important source of reactive oxygen species (ROS) generation, changes in ROS generation and lipid peroxidation were also assessed. The amount of ROS generated by the COX pathway increased with age, as did the total ROS generation and lipid peroxidation. These results show that COX-2 activity increases with age, partially because of elevated transcriptional expression and protein content, and they suggest that increased COX-2 can play a role in oxidative alterations in the aged heart.

  DOI：

  10.1093/gerona/56.8.b350

文献信息

• Pharmaceutical preparation containing copolyvidone
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US10098866B2

  公开（公告）日：2018-10-16

  A stabilized preparation which comprises: a unstable drug in a polyethylene glycol-containing preparation; and a coating agent comprising a copolyvidone instead of polyethylene glycol with which the drug is coated.

  一种稳定的制剂，包括：在聚乙二醇含制剂中的不稳定药物；以及一种包衣剂，其包衣剂包括一种共聚维酮，而不是用聚乙二醇包衣药物。
• ANTI-AGING AGENT CONTAINING ARCTIGENIN DERIVATIVE
  申请人：ROHTO Pharmaceutical Co., Ltd.

  公开号：US20150093345A1

  公开（公告）日：2015-04-02

  An arctigenin derivative used for anti-aging treatment, including protection of the skin from the sun and recovery of skin elasticity. A variety of fatty acid ester derivatives, alcohol ether derivatives and alkylated derivatives are used as the arctigenin derivatives. Agents for controlling ET-1 production, elastase inhibitors, and anti-inflammatory agents are prepared. Such arctigenin derivatives are particularly useful as an external agent for the skin, such as an anti-inflammatory external agent, a sunscreen external agent, or an external agent for recovering elasticity.

  一种用于抗衰老治疗的牛蒡素衍生物，包括保护皮肤免受阳光伤害和恢复皮肤弹性。使用各种脂肪酸酯衍生物、醇醚衍生物和烷基衍生物作为牛蒡素衍生物。制备用于控制ET-1产生的药剂、弹性蛋白酶抑制剂和抗炎药剂。这种牛蒡素衍生物特别适用于皮肤外用剂，如抗炎外用剂、防晒外用剂或恢复弹性的外用剂。
• [EN] POLYMERIC HYPERBRANCHED CARRIER-LINKED PRODRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS POLYMÉRIQUES HYPERBRANCHÉS
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013024048A1

  公开（公告）日：2013-02-21

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I),wherein POL is a polymeric moiety,each Hyp is independently a hyperbranched moiety,each moiety SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, m is 0 or 1, each n is independently an integer from 2 to 200 and each x is independently 0 or 1. It further relates to pharmaceutical compositions comprising said water- soluble carrier-linked prodrugs and methods of treatment.

  本发明涉及水溶性载体连接的前药，其化学式为（I），其中POL是聚合物基团，每个Hyp是独立的超支化基团，每个基团SP是独立的间隔基团，每个L是独立的可逆前药连接基团，m为0或1，每个n是独立的整数，范围从2到200，每个x是独立的0或1。此外，还涉及包含所述水溶性载体连接的前药的药物组合物和治疗方法。
• [EN] HIGH-LOADING WATER-SOLUBLE CARRIER-LINKED PRODRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS HYDROSOLUBLES DE FORTE CHARGE
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013024047A1

  公开（公告）日：2013-02-21

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I), wherein B, A and Hyp form the carrier, B is a branching core, each A is independently a poly(ethylene glycol)-based polymeric chain, each Hyp is independently a branched moiety, each SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, each D is independendly a biologically active moiety, each x is independently 0 or 1, each m is independently an integer of from 2 to 64, n is an integer from 3 to 32; or the pharmaceutically acceptable salt thereof. It further relates to pharmaceutical compositions comprising said water-soluble carrier-linked prodrugs, their use asmedicament or diagnostic, and methods of treatment.

  本发明涉及水溶性载体连接的前药，其化学式为(I)，其中B、A和Hyp形成载体，B是一个分支核心，每个A独立地是一条聚乙二醇基聚合链，每个Hyp独立地是一个分支基团，每个SP独立地是一个间隔基团，每个L独立地是一个可逆前药连接基团，每个D独立地是一个生物活性基团，每个x独立地为0或1，每个m独立地是从2到64的整数，n是从3到32的整数；或其药学上可接受的盐。进一步涉及包括所述水溶性载体连接的前药的药物组合物，其用作药物或诊断，以及治疗方法。
• [EN] RELEASABLE CONJUGATES<br/>[FR] CONJUGUÉS LIBÉRABLES
  申请人：QUIAPEG PHARMACEUTICALS AB

  公开号：WO2018163131A1

  公开（公告）日：2018-09-13

  The present application provides compounds of Formula (B), or pharmaceutically acceptable salts thereof, wherein D is a residue of a biologically active drug, which underdo hydrolysis under physiological conditions to release the biologically active drug and which are useful in the treatment of disorders that could be beneficially treated with the drug.

  本申请提供了化合物的公式（B），或其药用盐，其中D是生物活性药物的残留物，在生理条件下经过水解释放出生物活性药物，并且对可能受益于该药物治疗的疾病具有用处。