二(2-氯乙基)乙胺 | 538-07-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 二(2-氯乙基)乙胺
• 英文名称: bis(2-chloroethyl)(ethyl)amine
• 英文别名: N,N-bis(2-chloroethyl)ethylamine；2-chloro-N-(2-chloroethyl)-N-ethylethanamine；Bis(2-chloroethyl)ethylamine
• CAS: 538-07-8
• 化学式: C₆H₁₃Cl₂N
• mdl: MFCD01677893
• 分子量: 170.082
• InChiKey: UQZPGHOJMQTOHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

毒理性

• 暴露途径

该物质可以通过吸入其蒸气、吸入其气溶胶、通过皮肤接触以及吞咽进入人体。所有暴露途径都可能导致严重的局部效应和系统性效应。

The substance can be absorbed into the body by inhalation of its vapour, by inhalation of its aerosol, through the skin and by ingestion. Serious local effects and systemic effects by all routes of exposure.

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

毒理性

• 吸入症状

喉咙痛。灼热感。咳嗽。颤抖。不协调。抽搐。呼吸困难。气短。喘息。症状可能会延迟出现。

Sore throat. Burning sensation. Cough. Tremor. Incoordination. Convulsions. Laboured breathing. Shortness of breath. Wheezing. Symptoms may be delayed.

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

毒理性

• 皮肤症状

可能被吸收！红肿。疼痛。水泡。症状可能会延迟。更多信息请见吸入部分。

MAY BE ABSORBED! Redness. Pain. Blisters. Symptoms may be delayed. Further see Inhalation.

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

毒理性

• 眼睛症状

蒸汽将被吸收！眼睛流泪。红肿。疼痛。抽搐，畏光和瞳孔散大。视力模糊。严重深度烧伤。视力丧失。

VAPOUR WILL BE ABSORBED! Watering of the eyes. Redness. Pain. Spasms, photophobia and dilated pupils. Blurred vision. Severe deep burns. Loss of vision.

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

毒理性

• 摄入症状

喉咙痛。腹痛。喉咙和胸部有灼热感。恶心。呕吐。腹泻。进一步请参见吸入部分。

Sore throat. Abdominal pain. Burning sensation in the throat and chest. Nausea. Vomiting. Diarrhoea. Further see Inhalation.

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

吸收、分配和排泄

氮芥通过皮肤、呼吸道和胃肠道的吸收.../氯乙胺/

Nitrogen mustards are absorbed through the skin, respiratory and GI tract ... /Chloroethylamines/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

液体或蒸汽氮芥通过皮肤或眼睛接触后可能被吸收，并可能导致全身毒性。……/氮芥/……具有高度反应性，能够迅速与蛋白质、DNA或其他分子结合。因此，在接触氮芥后几分钟内，完整的氮芥或其活性代谢物在组织或生物流体中就不再能被找到。/氮芥/

Absorption may occur after skin or eye exposure to liquid or vapor nitrogen mustard and may cause systemic toxicity. .../Nitrogen mustards/ ...are highly reactive and combine rapidly with proteins, DNA, or other molecules. Therefore, within minutes following exposure intact mustard or its reactive metabolites are not found in tissue or biological fluids. /Nitrogen mustards/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 储存条件：
  库房应保持通风、低温和干燥，并与食品原料分开存放。

反应信息

• 作为反应物：
  描述：

  二(2-氯乙基)乙胺 在 水 作用下， 生成 1-ethyl-1-(2-chloro-ethyl)-aziridinium; chloride
  参考文献：
  名称：

  Hanby; Rydon, Journal of the Chemical Society, 1947, p. 517

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-双(2-氯乙基)乙酰胺 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 二(2-氯乙基)乙胺
  参考文献：
  名称：

  Kuwada,Y., Chemical and pharmaceutical bulletin, 1960, vol. 8, p. 77 - 78

  摘要：

  DOI：

文献信息

• Mass spectral analysis of N-oxides of nitrogen mustards, and N,N-dialkylaminoethyl-2-chlorides under electrospray ionization conditions
  作者：L. Sridhar、R. Karthikraj、M.R.V.S. Murty、N. Prasada Raju、M. Vairamani、S. Prabhakar

  DOI：10.1016/j.ijms.2012.08.005

  日期：2013.1

  Here we report the successful characterization of the N-oxides of nitrogen mustards and N,N-dialkylaminoethyl-2-chlorides under positive ion electrospray ionization tandem mass spectrometry conditions. The collision-induced dissociation spectra of [M+H] + ions show distinct product ions that enable unambiguous identification of studied N-oxides, including those of isomeric compounds. The proposed fragmentation

  摘要 化学武器公约 (CWC) 包括对各种环境基质中的化学战剂及其前体/降解产物的验证。氮芥和 N,N-二烷基氨基乙基-2-氯化物是合成神经毒剂（VX 型化合物）的前体，在环境基质中或在净化过程中容易发生氧化。因此，筛选 CWC 相关化合物的氧化产物也是验证过程中的一项重要任务。在这里，我们报告了在正离子电喷雾电离串联质谱条件下成功表征氮芥和 N，N-二烷基氨基乙基-2-氯化物的 N-氧化物。[M+H] + 离子的碰撞诱导解离光谱显示出不同的产物离子，可以明确鉴定所研究的 N-氧化物，包括异构化合物的那些。这些化合物的建议碎裂模式基于同位素丰度比、高分辨率质谱数据和产物/前体离子谱。所研究化合物的 [M+H] + 离子的 CID 光谱包括特定的产物离子 [MH-( OH + CH 2 Cl)] + 和独特的烯烃损失，以识别连接到氮的烷基。
• [EN] VITAMIN D RECEPTOR MODULATORS<br/>[FR] MODULATEURS DE RECEPTEUR DE VITAMINE D
  申请人：LILLY CO ELI

  公开号：WO2004048309A1

  公开（公告）日：2004-06-10

  The present invention relates to novel, non-secosteroidal, diaryl compounds with vitamin D receptor (VDR) modulating activity that are less hypercalcemic than 1a,25 dihydroxy vitamin D3. These compounds are useful for treating bone disease and psoriasis.

  本发明涉及一种新颖的、非类固醇的、二芳基化合物，具有维生素D受体（VDR）调节活性，比1a,25二羟基维生素D3更少引起高钙血症。这些化合物可用于治疗骨疾病和牛皮癣。
• A highly selective and sensitive “turn-on” fluorescence chemodosimeter for the detection of mustard gas
  作者：D. Raghavender Goud、Ajay Kumar Purohit、Vijay Tak、Devendra Kumar Dubey、Pravin Kumar、Deepak Pardasani

  DOI：10.1039/c4cc04801f

  日期：——

  A new chemodosimetric protocol based on a tandem S-alkylation followed by desulfurisation reaction of rhodamine-thioamide with mustard gas is reported. The chemodosimeter is highly selective for potential DNA alkylating agents like sulfur mustard, over other simple alkyl halides with the limit of detection of 4.75 μM.

  报告了一种基于玫瑰红硫酰胺与芥子气进行串联S-烷基化后脱硫反应的新型化学剂量测定协议。该化学剂量计对硫芥等潜在DNA烷基化剂具有高度选择性，检出限为4.75微摩尔，比其他简单烷基卤化物更高。
• Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors
  申请人：Barta E. Thomas

  公开号：US20050009838A1

  公开（公告）日：2005-01-13

  This invention is directed generally to proteinase (also known as “protease”) inhibitors, and, more particularly, to piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids that, inter alia, inhibit matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to the following formula: (wherein A 1 , A 2 , Y, E 1 , E 2 , E 3 , and R x are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及对哌啶基和哌嗪基磺酰甲基羟肟酸的抑制作用，其中包括抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这些羟肟酸通常在结构上对应于以下公式： （其中A 1 ，A 2 ，Y，E 1 ，E 2 ，E 3 和R x 如本说明书中所定义），并进一步包括这些化合物的盐。这项发明还涉及这些羟肟酸的组合物，合成这些羟肟酸的中间体，制备这些羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的病症（特别是病理性病症）的方法。
• [EN] N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS<br/>[FR] COMPOSÉS DE N-[2-HYDROXYCARBAMOYL-2-(PIPÉRAZINYL)ÉTHYL]BENZAMIDE, LEUR PRÉPARATION ET UTILISATION À TITRE D'INHIBITEURS DE TACE
  申请人：GALDERMA RES & DEV

  公开号：WO2011033009A1

  公开（公告）日：2011-03-24

  The present invention relates to novel benzene-carboxamide compounds having a structure that corresponds to the general formula (I), and also to their method of synthesis and to their use in pharmaceutical compositions intended for use in human or veterinary medicine or else to their use in cosmetic compositions.

  本发明涉及具有与通式（I）对应的结构的新型苯甲酰胺化合物，以及它们的合成方法，以及它们在用于人类或兽医药物的制剂中的使用，或者在化妆品组合物中的使用。

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