Piperazine-1,4-diium dichloride

计算性质

辛醇/水分配系数(LogP)：

-0.73
重原子数：

8
可旋转键数：

0
环数：

1.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

24.1
氢给体数：

4
氢受体数：

2

ADMET

毒理性

暴露途径

吸入，皮肤吸收，吞食，皮肤和/或眼睛接触

inhalation, skin absorption, ingestion, skin and/or eye contact

来源:The National Institute for Occupational Safety and Health (NIOSH)

毒理性

症状

眼睛刺激，皮肤，呼吸系统；皮肤烧伤，敏感；哮喘；胃肠不适，头痛，恶心，呕吐，不协调，肌肉无力

irritation eyes, skin, respiratory system; skin burns, sensitization; asthma; gastrointestinal upset, headache, nausea, vomiting, incoordination, muscle weak

来源:The National Institute for Occupational Safety and Health (NIOSH)

毒理性

靶器官

眼睛、皮肤、呼吸系统、中枢神经系统

Eyes, skin, respiratory system, central nervous system

来源:The National Institute for Occupational Safety and Health (NIOSH)

毒理性

副作用

Dermatotoxin - 皮肤烧伤。 Skin Sensitizer - 能够诱导皮肤过敏反应的剂。 Asthma - 由吸入刺激性或致敏剂引起的可逆性支气管收缩（细支气管狭窄）。

Dermatotoxin - Skin burns. Skin Sensitizer - An agent that can induce an allergic reaction in the skin. Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

作为反应物：

描述：

Piperazine-1,4-diium dichloride 、 sodium nitrite 以93%的产率得到

参考文献：

名称：

YAXONTOV, L. N.;KUTINA, N. N.;SHISHKIN, G. V.;ZHIXAREVA, G. P.;VYSOCHIN, +, XIM.-FARMATS. ZH., 23,(1989) N, S. 30-35

摘要：

DOI：
作为产物：

描述：

1,1-二氯乙烷、乙二胺生成 Piperazine-1,4-diium dichloride

参考文献：

名称：

ZAGIDULLIN, R. N.;ABDRAFIKOVA, L. S.;RASULEV, Z. G., XIM. PROM-ST,(1991) N, S. 82-84

摘要：

DOI：
作为试剂：

描述：

哌嗪、盐酸哌嗪、 4-氟氯苄在 ice 、盐酸哌嗪、 three 、 hydron;2,4,5,6-tetrafluorobenzene-1,3-diamine;dichloride 、 4-methoxybenzylpiperazine hydrochloride 、 Piperazine-1,4-diium dichloride 、氯离子、乙醇作用下，以乙醇为溶剂，反应 0.92h，以gave 5.248 g(91%) of 1-(4-fluorobenzyl)-4-piperazinium chloride的产率得到1-(4-fluorobenzyl)piperazine hydrochloride

参考文献：

名称：

Calcium channel blockers

摘要：

该发明涉及识别一类阻断钙通道的化合物家族。这些化合物可以制成药物载体并用于治疗与钙通道活性相关的疾病，例如心血管疾病，如高血压、充血性心力衰竭、心律失常和心绞痛。

公开号：

US20020115655A1

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文献信息

[EN] INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS<br/>[FR] DÉRIVÉS D'INDANONE ET D'INDANEDIONE ET ANALOGUES HÉTÉROCYCLIQUES

申请人：ACTELION PHARMACEUTICALS LTD

公开号：WO2013068785A1

公开（公告）日：2013-05-16

The invention relates to indanone/indandione derivatives and heterocyclic analogs of Formula (I) wherein Ar1, A, B, L1, Y, Z, and (R1)n n are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds as medicaments, especially as NPS receptor antagonists.

这项发明涉及吲哚酮/吲哚二酮衍生物和式（I）中的杂环类似物，其中Ar1、A、B、L1、Y、Z和（R1）n n如描述中所述；其药学上可接受的盐，以及将这些化合物用作药物，特别是作为NPS受体拮抗剂。
Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant

申请人：Li Jianqi

公开号：US20050267121A1

公开（公告）日：2005-12-01

Aryl alkanol piperazine derivatives of the formula and pharmaceutical compositions comprising the same. Also disclosed are methods for treating depression using the pharmaceutical compositon. Compounds of the invention have excellent dual inhibitory actions to the uptake of the mono-amines neurotransmitter, good antidepressant activities and minor side effects.

Aryl alkanol piperazine衍生物的公式和包含它们的药物组合物。还公开了使用药物组合物治疗抑郁症的方法。本发明的化合物对单胺类神经递质的摄取具有优良的双重抑制作用，具有良好的抗抑郁活性和较小的副作用。
Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent

申请人：Li Jianqi

公开号：US20060148811A1

公开（公告）日：2006-07-06

Arylalkyl ketone piperazine derivatives of the formula: and pharmaceutical compositions comprising the same. Also dislcosed are methods for using the compounds as analgesic and sedative agents. The compounds of the present invention have good analgesic and sedative activities but few side effects.

Arylalkyl酮哌嗪衍生物的公式为：以及包含该化合物的药物组合物。还公开了将化合物用作镇痛和镇静剂的方法。本发明的化合物具有良好的镇痛和镇静活性，但副作用很少。
BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF

申请人：SENOMYX, INC.

公开号：US20160376263A1

公开（公告）日：2016-12-29

The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
[EN] BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES BICYCLIQUES ET LEURS UTILISATIONS EN THÉRAPIE

申请人：ASTEX THERAPEUTICS LTD

公开号：WO2012143726A1

公开（公告）日：2012-10-26

The invention relates to bicyclic heterocycle compounds of formula (I): or tautomeric or stereochemically isomeric forms, N-oxides, pharmaceutically acceptable salts or the solvates thereof; wherein R1, R2a, R2b, R3a, R3b, R5, R6, R7, R8, R9, p and E are as defined herein; to pharmaceutical compositions comprising said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

该发明涉及公式（I）的双环杂环化合物，或其互变异构体或立体化学同分异构体，N-氧化物，药用盐或其溶剂合物；其中R1、R2a、R2b、R3a、R3b、R5、R6、R7、R8、R9、p和E如本文所定义；以及包含该化合物的药物组合物，以及该化合物在治疗疾病（如癌症）中的用途。