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rac-(12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dien-1-yl acetate | 56164-07-9

中文名称
——
中文别名
——
英文名称
rac-(12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dien-1-yl acetate
英文别名
Persin;[(12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dienyl] acetate
rac-(12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dien-1-yl acetate化学式
CAS
56164-07-9
化学式
C23H40O4
mdl
——
分子量
380.568
InChiKey
IBDVBNUJEGRVQN-NQLNTKRDSA-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:
    504.5±50.0 °C(Predicted)
  • 密度:
    0.966±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    5.9
  • 重原子数:
    27
  • 可旋转键数:
    19
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.74
  • 拓扑面积:
    63.6
  • 氢给体数:
    1
  • 氢受体数:
    4

ADMET

毒理性
  • 在妊娠和哺乳期间的影响
◉ 母乳喂养期间使用概述:欧芹(Carum petroselinum)叶、种子和根部含有挥发油,包括生物碱和肉豆蔻素,具有药理活性,以及黄酮类、β-Phellandrene(β-水芹烯)、Bergapten( bergaptol)、维生素A和C。使用欧芹的热敷或泥敷被用来治疗乳房充血和乳房痛。据说含有鼠尾草和欧芹的口服胶囊可以减少乳汁流量;然而,没有科学有效的临床试验支持这种用途。一些土耳其的母亲报告使用欧芹来增加她们的乳汁供应。催乳剂不应替代对影响乳汁产量的可修改因素的评估和咨询。没有关于欧芹任何成分排入母乳的数据,也没有关于欧芹对哺乳母亲或婴儿的安全性和有效性的数据。欧芹被美国食品药品管理局(FDA)"普遍认为是安全的"(GRAS)作为食品。不良反应主要是过敏反应,包括与其他伞形科家庭成员如胡萝卜、芹菜和茴香的交叉反应。不应使用精油,因其apiol和myristicin含量可能具有毒性。 ◉ 对母乳喂养婴儿的影响:截至修订日期,未找到相关已发布信息。 ◉ 对泌乳和母乳的影响:据说含有鼠尾草和欧芹的口服胶囊可以减少乳汁流量;然而,没有科学有效的临床试验支持这种用途。 伊朗的158位报告哺乳困难的母亲被给予了一种专有草药混合物(Shirafza Drop)或叶绿素溶液作为安慰剂。草药混合物包含了据称具有催乳作用的茴香、八角、孜然、黑种子和欧芹。婴儿年龄在0到6个月之间,他们被纯母乳喂养。随着时间的推移测量婴儿的体重增加。两组婴儿的体重增加没有差异。这项研究的盲法和随机化不清楚。
◉ Summary of Use during Lactation:Parsley (Carum petroselinum) leaf, seed, and root contain the volatile oils apiol and myristicin, which is pharmacologically active, as well as flavonoids, beta-phellandrene, bergapten, and vitamins A and C. Warm compresses or poultices of parsley have been used to treat breast engorgement and mastalgia. Oral capsules containing sage and parsley capsules are said to decrease milk flow; however, no scientifically valid clinical trials support this use. Some mothers in Turkey reportedly use parsley to increase their milk supply. Galactogogues should never replace evaluation and counseling on modifiable factors that affect milk production. No data exist on the excretion of any components of parsley into breastmilk or on the safety and efficacy of parsley nursing mothers or infants. Parsley is "generally recognized as safe" (GRAS) as a food by the U.S. Food and Drug Administration. Adverse reactions are primarily allergic, including cross reactions to other members of the Apiaceae family, such as carrot, celery, and fennel. The essential oil should not be used because of potential toxicity of its apiol and myristicin content. Dietary supplements do not require extensive pre-marketing approval from the U.S. Food and Drug Administration. Manufacturers are responsible to ensure the safety, but do not need to prove the safety and effectiveness of dietary supplements before they are marketed. Dietary supplements may contain multiple ingredients, and differences are often found between labeled and actual ingredients or their amounts. A manufacturer may contract with an independent organization to verify the quality of a product or its ingredients, but that does not certify the safety or effectiveness of a product. Because of the above issues, clinical testing results on one product may not be applicable to other products. More detailed information about dietary supplements is available elsewhere on the LactMed Web site. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Oral capsules containing sage and parsley capsules are said to decrease milk flow; however, no scientifically valid clinical trials support this use. One hundred fifty-eight mothers in Iran of who reported difficulty in breastfeeding were given either a proprietary mixture of herbs (Shirafza Drop) or a chlorophyll solution as a placebo. The herbal mixture contained the purported galactogogues fennel, anise, cumin, black seed, and parsley. Infant ages ranged between 0 and 6 months and they were exclusively breastfed. Weight gain of the infants was measured over time. No difference in infant weight gain was seen between the two groups of infants. Blinding and randomization in this study is unclear.
来源:Drugs and Lactation Database (LactMed)

SDS

SDS:eee650fe984f225329e125023adfaff8
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反应信息

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文献信息

  • [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。
  • [EN] HYDROGEL-LINKED PRODRUGS RELEASING MODIFIED DRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À UN HYDROGEL LIBÉRANT DES MÉDICAMENTS MODIFIÉS
    申请人:ASCENDIS PHARMA AS
    公开号:WO2014173759A1
    公开(公告)日:2014-10-30
    The present invention relates to a process for the preparation of a hydrogel-linked prodrug releasing a tag moiety-bio logically active moiety conjugate, to a hydrogel-linked prodrug releasing a tag moiety-bio logically active moiety conjugate obtainable by such process, to pharmaceutical compositions comprising said prodrug and their use as a medicament.
    本发明涉及一种制备水凝胶连接的前药释放标签基团-生物活性基团结合物的方法,以及通过该方法获得的水凝胶连接的前药释放标签基团-生物活性基团结合物,还涉及包含该前药的药物组合物及其作为药物的用途。
  • [EN] PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF<br/>[FR] MEMBRANE À BASE DE DIIMIDE DE PÉRYLÈNE ET PROCÉDÉS D'UTILISATION DE CELLE-CI
    申请人:YEDA RES & DEV
    公开号:WO2017006325A1
    公开(公告)日:2017-01-12
    This invention is directed to filtration system, filtration apparatus and methods of use thereof, wherein the filtration system comprises a solid support, perylene diimide based membrane layer and a polymer, specifically a Nafion polymer. The system and apparatus of this invention enables filtration of solutes such as: dyes, salts, heavy metal ions, pharmaceuticals and small organic molecules.
    这项发明涉及过滤系统、过滤装置及其使用方法,其中该过滤系统包括固体支撑、苝二酰亚胺基膜层和聚合物,具体来说是一种Nafion聚合物。该发明的系统和装置可以过滤诸如染料、盐、重金属离子、药物和小有机分子等溶质。
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