(4-azaniumylphenyl)azanium;dichloride

计算性质

辛醇/水分配系数(LogP)：

1.69
重原子数：

10
可旋转键数：

0
环数：

1.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

52
氢给体数：

4
氢受体数：

2

ADMET

毒理性

暴露途径

这种物质可以通过吸入、皮肤接触和摄入被身体吸收。

The substance can be absorbed into the body by inhalation, through the skin and by ingestion.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

吸入症状

晕眩。头痛。呼吸困难。嘴唇、手指甲和皮肤发青。混乱。抽搐。恶心。失去意识。

Dizziness. Headache. Laboured breathing. Blue lips, fingernails and skin. Confusion. Convulsions. Nausea. Unconsciousness.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

眼睛症状

Redness.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

摄入症状

见吸入。

See Inhalation.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。高铁血红蛋白血症 - 血液中高铁血红蛋白含量增加；该化合物被归类为第二毒性效应皮肤致敏剂 - 可以诱导皮肤过敏反应的制剂。哮喘 - 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）。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect 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

吸收、分配和排泄

应用于狗皮肤的凝胶和液体中的...当涂抹含有1.5克对苯二胺的月桂基硫酸盐基凝胶50毫升，持续3小时并允许自由接触空气时，吸收了16毫克...当用铝箔覆盖区域时，吸收量增加到110毫克。治疗前使用过氧化氢，吸收了2毫克。

...APPLIED TO SKIN OF DOGS IN GELS & FLUIDS...16 MG WERE ABSORBED WHEN 50 ML OF LAURYL SULFATE-BASED GEL CONTAINING 1.5 G P-PHENYLENEDIAMINE WAS APPLIED FOR 3 HR & FREE ACCESS TO AIR WAS ALLOWED... AMT ROSE TO 110 MG /WHEN AREA WAS COVERED WITH ALUMINUM FOIL. HYDROGEN PEROXIDE APPLIED BEFORE TREATMENT, 2 MG ABSORBED/.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

作为反应物：

描述：

1-Cyan-cyclohex-1-en-2-yl-harnstoff 、 (4-azaniumylphenyl)azanium;dichloride 以55%的产率得到

参考文献：

名称：

BISCHOFF, C.;SCHROEDER, E.;GRUENDEMANN, E., J. PRAKT. CHEM., 1982, 324, N 4, 519-525

摘要：

DOI：
作为产物：

描述：

对苯二胺、盐酸以86%的产率得到

参考文献：

名称：

MURRAY, ROBERT W.;RAJADHYAKSHA, SHIRISH N.;MOHAN, LILY, J. ORG. CHEM., 54,(1989) N4, C. 5783-5788

摘要：

DOI：

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文献信息

[EN] COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T<br/>[FR] COMPOSÉS UTILES POUR L'INHIBITION DU ROR-GAMMA-T

申请人：LILLY CO ELI

公开号：WO2018160550A1

公开（公告）日：2018-09-07

The present invention provides novel ROR gamma-t inhibitors and pharmaceutical compositions thereof, formula (A).

本发明提供了新颖的ROR gamma-t抑制剂及其药物组合物，化学式(A)。
Methods for Chk2 inhibitor patient selection

申请人：Altieri Dario

公开号：US20080125358A1

公开（公告）日：2008-05-29

The present invention contemplates a method to identify subjects that either have a tumor, or are at risk for tumor development, that are responsive to various inhibitors of an activated-Chk2 protein. Such Chk2 inhibitors may comprise a benzimidazole core structure, and derivatives thereof. Other Chk2 inhibitors may comprise nucleic acids, such as silencing interference RNA's specific for a Chk2 expression. Other Chk2 inhibitors may comprises proteins, such as antibodies. For example, the present invention contemplates that when a Chk2 inhibitor is administered during, or after, ionizing radiation tumor cell apoptosis is increased.

本发明考虑了一种用于识别患有肿瘤或患有肿瘤风险、对激活的Chk2蛋白的各种抑制剂具有响应的受试者的方法。这些Chk2抑制剂可能包括苯并咪唑核结构及其衍生物。其他Chk2抑制剂可能包括核酸，例如特异于Chk2表达的沉默干扰RNA。其他Chk2抑制剂可能包括蛋白质，例如抗体。例如，本发明考虑了当在电离辐射期间或之后给予Chk2抑制剂时，肿瘤细胞凋亡增加。
Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE)

申请人：——

公开号：US20030139388A1

公开（公告）日：2003-07-24

The present application describes novel cyclic hydroxamic acids of formula I: 1 or pharmaceutically acceptable salt forms thereof, wherein ring B is a 5-7 membered cyclic system containing from 0-2 heteroatoms selected from O, N, NR 1 , and S(O) p , and 0-1 carbonyl groups and the other variables are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), aggrecanase or a combination thereof, pharmaceutical compositions containing the same, and methods of using the same.

本申请描述了新型的公式I:1的环式羟羧酸，或其药用盐形式，其中环B是一个包含0-2个来自O、N、NR1和S(O)p的杂原子以及0-1个羰基的5-7元环系统，其他变量在本说明书中有定义，这些化合物可作为基质金属蛋白酶（MMP）、TNF-α转化酶（TACE）、聚集素酶或其组合的抑制剂，包含这些化合物的药物组合物，以及使用这些化合物的方法。
[EN] DINUCLEAR METAL COMPLEXES COMPRISING CARBENE LIGANDS AND THE USE THEREOF IN OLEDS<br/>[FR] COMPLEXES MÉTALLIQUES BINUCLÉAIRES COMPRENANT DES LIGANDS CARBÈNES ET LEUR UTILISATION DANS DES DIODES ÉLECTROLUMINESCENTES ORGANIQUES (OLED)

申请人：BASF SE

公开号：WO2014012972A1

公开（公告）日：2014-01-23

The present invention relates to dinuclear metal-carbene complexes comprising a central atom selected from platinum and palladium, where both metal atoms are cyclometalated to the same aromatic group, to OLEDs (Organic Light-Emitting Diodes) which comprise such complexes, to a device selected from the group consisting of illuminating elements, stationary visual display units and mobile visual display units comprising such an OLED, to the use of such a metal-carbene complex in OLEDs, for example as emitter, matrix material, charge transport material and/or charge or exciton blocker.

本发明涉及双核金属-卡宾配合物，其中中心原子选择自铂和钯，两个金属原子都环金属化到同一芳香基团，以及包括这种配合物的OLEDs（有机发光二极管），选自包括发光元件、固定视觉显示单元和移动视觉显示单元的装置，其中包括这种OLED，以及在OLEDs中使用这种金属-卡宾配合物，例如作为发射体、基质材料、电荷传输材料和/或电荷或激子阻挡剂。
Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE)

申请人：——

公开号：US20030087882A1

公开（公告）日：2003-05-08

The present application describes novel spiro-cyclic &bgr;-amino acid derivatives of formula I: 1 or pharmaceutically acceptable salt forms thereof, wherein ring B is a 3-13 membered carbocycle or heterocycle, ring C forms a 3-11 membered spiro-carbocycle or spiro-heterocycleon ring B, and the other variables are defined in the present specification, which are useful as as matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), and/or aggrecanase inhibitors.

本申请描述了新颖的式I的螺环式&bgr;-氨基酸衍生物或其药用盐形式，其中环B是3-13成员碳环或杂环，环C形成3-11成员的螺环碳环或螺环杂环在环B上，并且其他变量在本规范中定义，这些衍生物可用作基质金属蛋白酶（MMP）、TNF-&agr;转化酶（TACE）和/或聚集素酶抑制剂。