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Atarax

中文名称
——
中文别名
——
英文名称
Atarax
英文别名
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydron;dichloride
Atarax化学式
CAS
——
化学式
C21H29Cl3N2O2
mdl
——
分子量
447.8
InChiKey
ANOMHKZSQFYSBR-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):
    3.9
  • 重原子数:
    28
  • 可旋转键数:
    8
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.43
  • 拓扑面积:
    35.9
  • 氢给体数:
    3
  • 氢受体数:
    4

ADMET

毒理性
  • 在妊娠和哺乳期间的影响
哺乳期使用总结:偶尔小剂量的羟嗪不会预期对哺乳婴儿产生任何不良影响。较大剂量或更长时间的使用可能会导致婴儿昏昏欲睡或其他影响,或者减少乳汁供应,特别是在与伪麻黄碱等拟交感神经药联合使用或哺乳尚未稳定时。在哺乳新生儿或早产儿时,首选其他药物。 对哺乳婴儿的影响:在一项电话随访研究中,母亲报告10%的暴露于各种抗组胺药的婴儿出现烦躁和肠绞痛症状,1.6%的婴儿出现嗜睡。所有反应均未需要医疗关注。 在1985年1月至2011年6月期间,法国报告的所有哺乳婴儿的不良反应由一个法国药物警戒中心汇编。在174份报告中,羟嗪被报告在8名婴儿中引起不良反应,并且是最常被认为是严重不良反应的主要嫌疑药物,主要是镇静。 对哺乳和乳汁的影响:相对高剂量的抗组胺药通过注射可以减少非哺乳期妇女和产后早期妇女的基础血清催乳素。然而,哺乳诱导的催乳素分泌不受产后母亲抗组胺药预处理的影响。尚未研究较低口服剂量的抗组胺药是否对血清催乳素有相同的影响,或者催乳素的效果是否对哺乳成功有任何影响。在已经建立哺乳的母亲中,催乳素平可能不会影响她的哺乳能力。 一位5周大婴儿的哺乳母亲被诊断为双相情感障碍、恐慌发作和焦虑症。她开始服用羟嗪50毫克,不定时服用,持续3至5天,对乳汁产量没有影响。然后她开始不定时服用阿立哌唑5毫克。5天后,她报告乳汁产量减少,需要用配方奶粉补充。停用两种药物9天后,她的乳汁供应恢复正常。乳汁减少可能是由于药物引起的,最可能是阿立哌唑
◉ Summary of Use during Lactation:Small occasional doses of hydroxyzine would not be expected to cause any adverse effects in breastfed infants. Larger doses or more prolonged use may cause drowsiness and other effects in the infant or decrease the milk supply, particularly in combination with a sympathomimetic such as pseudoephedrine or before lactation is well established. Other agents are preferred, especially while nursing a newborn or preterm infant. ◉ Effects in Breastfed Infants:In one telephone follow-up study, mothers reported irritability and colicky symptoms 10% of infants exposed to various antihistamines and drowsiness was reported in 1.6% of infants. None of the reactions required medical attention. All adverse reactions in breastfed infants reported in France between January 1985 and June 2011 were compiled by a French pharmacovigilance center. Of 174 reports, hydroxyzine was reported to cause adverse reactions in 8 infants and to be one of the drugs most often suspected in serious adverse reactions, primarily sedation. ◉ Effects on Lactation and Breastmilk:Antihistamines in relatively high doses given by injection can decrease basal serum prolactin in nonlactating women and in early postpartum women However, suckling-induced prolactin secretion is not affected by antihistamine pretreatment of postpartum mothers. Whether lower oral doses of antihistamines have the same effect on serum prolactin or whether the effects on prolactin have any consequences on breastfeeding success have not been studied. The prolactin level in a mother with established lactation may not affect her ability to breastfeed. The breastfeeding mother of a 5-week-old infant was diagnosed with bipolar disorder, panic attacks and anxiety disorder. She was started on hydroxyzine 50 mg at an unspecified interval and took it for 3 to 5 days with no effect on milk production. She was then started on aripiprazole 5 mg at an unspecified interval. After 5 days, she reported a decrease in milk production that required supplementation with formula. Nine days after stopping both drugs, her milk supply returned to normal. The decreased milk supply was possibly caused by the medications, with aripiprazole most likely.
来源:Drugs and Lactation Database (LactMed)

反应信息

  • 作为反应物:
    描述:
    Atarax 、 Jones' reagent 、 硫酸sodium hydroxide 在 chromium (VI) trioxide acetone - water丙酮乙酸乙酯氯化钠二氯甲烷甲烷 作用下, 以 丙酮异丙醇 为溶剂, 反应 20.33h, 以afforded the titled compound as a pale white foam (36.8 g, yield 60%) δH (CDCl3 ; 300 MHz) 13.73 (1H, br), 7, 14-7.36 (9H, m), 4.24 (1H, s), 3.95 (2H, s), 3.68-3.78 (2H, m), 3.09 (4H, br), 2.89-2.98 (2H, m), 2.62 (4H, br)的产率得到西替利嗪
    参考文献:
    名称:
    Methods for the manufacture of cetirizine
    摘要:
    本发明涉及制备公式I的[2-[4-[4-(氯苯基)苯基甲基]-1-哌嗪基]乙氧基]乙酸衍生物的过程,特别是制备西替利嗪的过程。该方法包括将羟辛啶的一级醇氧化。西替利嗪是一种非镇静型组胺H1受体拮抗剂,用于治疗过敏综合症。
    公开号:
    US06046332A1
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文献信息

  • METHODS AND COMPOSITIONS FOR TREATING INFECTION
    申请人:UNIVERSITY OF ROCHESTER
    公开号:US20150238473A1
    公开(公告)日:2015-08-27
    Provided herein are compositions and methods for treating or preventing infection.
    本文提供了用于治疗或预防感染的组合物和方法。
  • NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES
    申请人:Lal Bansi
    公开号:US20110172425A1
    公开(公告)日:2011-07-14
    The present invention relates to a novel water based process for the preparation of substituted diphenylmethyl piperazines of Formula I and pharmaceutically acceptable salts wherein X 1 and X 2 represent independently a hydrogen, a halogen, a straight or branched chain lower alkyl, alkoxy or a hydroxyl radical and R is selected from groups such as acyl, alkyl, alkenyl, aralalkyl, aralalkenyl aralkyl, and aralalkenyl or aralkenyl hydroxyalkyl, aryloxyalkyl, alkoxyalkyl, aminoalkyl or its derivative comprising, reacting a compound of Formula II, with a compound of formula R—X where R is as defined above and X is suitable leaving group which includes halides, but not limiting use of other leaving groups such as tosylate, mesylate and activated acid groups such as acyl halide, anhydrides, mixed anhydrides etc. using water as a solvent, in presence of a catalyst and a base, at 25-100° C.;
    本发明涉及一种用为基础的新型过程,用于制备化合物I的取代二苯甲基哌嗪及其药用盐,其中X1和X2分别代表氢、卤素、直链或支链低碳基、烷氧基或羟基基团,R选自酰基、烷基、烯基、芳基烷基、芳基烯基、芳基、芳基烯基或芳基羟基烷基、芳基氧基烷基、烷氧基烷基、基烷基或其衍生物等,包括将化合物II与化合物R-X反应,其中R如上定义,X是适当的离去基团,包括卤素等卤素,但不限于其他离去基团,如对甲苯磺酸酯甲磺酸酯和活化酸基团,如酰卤、酸酐、混合酸酐等,使用作为溶剂,在催化剂和碱的存在下,在25-100°C条件下进行。
  • GELATINASE INHIBITORS AND PRODRUGS
    申请人:Chang Mayland
    公开号:US20130052184A1
    公开(公告)日:2013-02-28
    The invention provides compounds, compositions, and methods for the treatment of diseases, disorders, or conditions that are modulated by matrix metalloproteinases (MMPs). The disease, disorder, or condition can include, for example, stroke, neurological disorders, or ophthalmological disorders. The treatment can include administering a compound or composition described herein, thereby providing a prodrug compound that metabolizes to an active MMP inhibitor in vivo. The MMP inhibition can be selective inhibition, for example, selective inhibition of MMP-2, MMP-9, and/or MMP-14. Thus, the invention provides non-mutagenic prodrug compounds of the formulas described herein that result in the inhibition of MMPs upon in vivo administration.
    这项发明提供了用于治疗受基质蛋白酶(MMPs)调节的疾病、疾病或病况的化合物、组合物和方法。疾病、疾病或病况可以包括中风、神经系统疾病或眼科疾病等。治疗可以包括给予本文描述的化合物或组合物,从而提供在体内代谢为活性MMP抑制剂的前体化合物。MMP抑制可以是选择性抑制,例如对MMP-2、MMP-9和/或MMP-14的选择性抑制。因此,该发明提供了根据本文描述的公式的非致突变的前体化合物,该化合物在体内给予后导致MMP的抑制。
  • [EN] SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] INHIBITEURS SÉLECTIFS DE MÉTALLOPROTÉINASES MATRICIELLES
    申请人:UNIV NOTRE DAME DU LAC
    公开号:WO2015127302A1
    公开(公告)日:2015-08-27
    The invention provides compounds, compositions, and methods for the treatment of diseases, disorders, or conditions that are modulated by matrix metalloproteinases (MMPs). The compounds can be selective MMP inhibitors, for example, selective inhibitors of MMP-2, MMP-9, and/or MMP-14. The disease, disorder, or condition can include, for example, stroke, neurological disorders, ophthalmological disorders, or wounds, such as chronic wounds or diabetic wounds.
    本发明提供了用于治疗受基质蛋白酶(MMPs)调节的疾病、疾病或病情的化合物、组合物和方法。这些化合物可以是选择性MMP抑制剂,例如MMP-2、MMP-9和/或MMP-14的选择性抑制剂。该疾病、疾病或病情可以包括中风、神经系统疾病、眼科疾病或创伤,例如慢性创伤或糖尿病性创伤。
  • Methods of using and compositions comprising sibutramine metabolites optionally in combination with other pharmacologically active compounds
    申请人:——
    公开号:US20020010198A1
    公开(公告)日:2002-01-24
    Methods are disclosed for the treatment and prevention of disorders and conditions such as, but are not limited to: eating disorders; weight gain; obesity; irritable bowel syndrome; obsessive-compulsive disorders; platelet adhesion; apnea; affective disorders such as attention deficit disorders, depression, and anxiety; male and female sexual function disorders; restless leg syndrome; osteoarthritis; substance abuse including nicotine and cocaine addiction; narcolepsy; pain such as neuropathic pain, diabetic neuropathy, and chronic pain; migraines; cerebral function disorders; chronic disorders such as premenstrual syndrome; and incontinence. Pharmaceutical compositions and dosage forms are also disclosed which comprise a racemic or optically pure sibutramine metabolite and an optional additional pharmacologically active compound.
    本发明揭示了治疗和预防多种疾病和症状的方法,包括但不限于:进食障碍;体重增加;肥胖症;肠易激综合征;强迫症;血小板粘附;呼吸暂停;情感障碍,如注意力缺陷障碍、抑郁症和焦虑症;男性和女性性功能障碍;不宁腿综合征;骨关节炎;物质滥用,包括尼古丁可卡因成瘾;嗜睡症;疼痛,如神经病性疼痛、糖尿病神经病变和慢性疼痛;偏头痛;脑功能障碍;经前综合症和失禁。此外,还揭示了包含外消旋或光学纯度西布曲明代谢物和可选的其他药理活性化合物的制药组合物和剂型。
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