羟嗪

• 常用名: 羟嗪
• 英文名: Hydroxyzine
• CAS号: 68-88-2
• 分子量: 374.90400
• 密度: N/A
• 沸点: 220 (0.5 torr)
• 分子式: C₂₁H₂₇ClN₂O₂
• 熔点: 190°C
• 闪点: N/A

羟嗪用途

Hydroxyzine是组胺H1受体拮抗剂。

羟嗪名称

• 中文名: 羟嗪
• 英文名: hydroxyzine
• 中文别名: 安泰乐 | 2-[2-[4-(4-氯苯基)苯甲基-1-哌嗪基]乙氧基]-乙醇

羟嗪生物活性

• 描述: Hydroxyzine是组胺H1受体拮抗剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 组胺受体
  信号通路 >> 免疫及炎症 >> 组胺受体
  研究领域 >> 炎症/免疫
• 参考文献:

  [1]. Minogiannis, P., et al., Hydroxyzine inhibits neurogenic bladder mast cell activation. Int J Immunopharmacol, 1998. 20(10): p. 553-63.

  [2]. Dimitriadou, V., X. Pang, and T.C. Theoharides, Hydroxyzine inhibits experimental allergic encephalomyelitis (EAE) and associated brain mast cell activation. Int J Immunopharmacol, 2000. 22(9): p. 673-84.

  [3]. Kan, W.M., et al., Effect of hydroxyzine on the transport of etoposide in rat small intestine. Anticancer Drugs, 2001. 12(3): p. 267-73.

  [4]. Morichi, R. and G. Pepeu, A study of the influence of hydroxyzine and diazepam on morphine antinociceptoion in the rat. Pain, 1979. 7(2): p. 173-80.

羟嗪物理化学性质

• 沸点: 220 (0.5 torr)
• 熔点: 190°C
• 分子式: C₂₁H₂₇ClN₂O₂
• 分子量: 374.90400
• 精确质量: 374.17600
• PSA: 35.94000
• LogP: 2.93170
• InChIKey: ZQDWXGKKHFNSQK-UHFFFAOYSA-N
• SMILES: OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
• 储存条件: 2-8℃
• 水溶解性: < 700 MG/ML
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积35.9

  7.重原子数量:26

  8.表面电荷:0

  9.复杂度:376

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

羟嗪毒性和生态

羟嗪安全信息

• 风险声明 (欧洲): R11:Highly Flammable. R20/22:Harmful by inhalation and if swallowed . R35:Causes severe burns.
• 安全声明 (欧洲): S3:Keep in a cool place . S16:Keep away from sources of ignition - No smoking . S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S26:In case of contact with eyes, rinse immediately with plenty of water an
• 危险品运输编码: 1106
• 海关编码: 2933599090

羟嗪海关

• 海关编码: 2933599090
• 中文概述: 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

羟嗪靶点实验

查看更多实验

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu... 来源：824 External Id：CYP273

实验名称：Drug activation in human Hep3B cells assessed as human CYP2C9-mediated drug metabolis... 来源：ChEMBL 靶标：Cytochrome P450 2C9 External Id：CHEMBL4478999

实验名称：Drug activation in human Hep3B cells assessed as human CYP3A4-mediated drug metabolis... 来源：ChEMBL 靶标：Cytochrome P450 3A4 External Id：CHEMBL4479053

实验名称：Lipophilicity, log D at pH7.4 来源：ChEMBL 靶标：N/A External Id：CHEMBL895152

实验名称：Acid dissociation constant, pKa of the compound 来源：ChEMBL 靶标：N/A External Id：CHEMBL895153

实验名称：Dissociation constant, pKa by capillary electrophoresis 来源：ChEMBL 靶标：N/A External Id：CHEMBL1023026

实验名称：Lipophilicity, log D at pH 7.4 by liquid chromatography 来源：ChEMBL 靶标：N/A External Id：CHEMBL1023023

实验名称：Lipophilicity, log P by microemulsion electrokinetic chromatography 来源：ChEMBL 靶标：N/A External Id：CHEMBL1023024

实验名称：Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV) 来源：NCGC External Id：APP-Toga-CHIKV-nsp2-p

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羟嗪英文别名

• Hydroxyzine
• EINECS 200-693-1
• 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol