1-(3,4-二氯苯基)-乙胺 | 74877-07-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3,4-二氯苯基)-乙胺
• 中文别名: 1-(3,4-二氯苯基)乙胺
• 英文名称: rac-1-(3,4-dichloro-phenyl)-ethylamine
• 英文别名: 1-(S)-(-)-(3,4-dichlorophenyl)-ethylamine；1-(3,4-Dichlorophenyl)ethanamine
• CAS: 74877-07-9
• 化学式: C₈H₉Cl₂N
• mdl: MFCD01123279
• 分子量: 190.072
• InChiKey: UJUFOUVXOUYYRG-UHFFFAOYSA-N

物化性质

• 密度：
  1.26

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2921499090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  2735
• 危险性描述：
  H314
• 储存条件：
  储存条件：2-8°C，避光保存，惰性气体保护。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(3,4-Dichlorophenyl)ethanamine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 1-(3,4-Dichlorophenyl)ethanamine
CAS number: 74877-07-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H9Cl2N
Molecular weight: 190.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(3,4-二氯苯基)-乙胺 在 4-phenylnaphthalene-1,2-dione 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  邻萘醌催化好氧氧化策略的仿生氧化脱氨催化

  摘要：

  已经开发了一种邻萘醌催化的氧化脱氨反应，其中分子氧和水充当唯一的氧化剂和亲核试剂。当前的有氧脱氨反应是通过邻萘醌和胺之间的酮亚胺形成，随后质子重排和被水水解而进行的，这代表了人体中胺类被肝脏和肾脏的仿生氧化脱氨作用。邻位的相容性-萘醌与分子氧和水的有机催化剂开辟了一种新型的仿生催化剂体系，该体系可以用作多种含胺分子（如氨基酸和DNA核碱基）的多功能脱氨基胺。

  DOI：

  10.1021/acscatal.8b00992
• 作为产物：
  描述：

  1-(3,4-二氯苯基)-1-乙酮肟 在 RaNi 噻吩 、 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 1-(3,4-二氯苯基)-乙胺
  参考文献：
  名称：

  2-Mercaptoimidazoles, a new class of potent CCR2 antagonists

  摘要：

  We describe the synthesis and SAR of a new class of CCR2 antagonists based on a 2-mercaptoimidazole scaffold. The initial lead 1a was optimized to the 3,4-disubstituted analogues 1p-(S) and 1q-(S), which have IC50 values in the MCP-1 induced Ca-flux below 0.01 muM. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.064

文献信息

• [EN] ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS D'ISOINDOLINE UTILISABLES DANS LE CADRE DU TRAITEMENT DU CANCER
  申请人：CELGENE CORP

  公开号：WO2010053732A1

  公开（公告）日：2010-05-14

  Provided herein are isoindoline compounds such as those of formula (I), pharmaceutical compositions comprising one or more of such compounds, and methods of their use for treating, preventing, or managing various diseases. Formula (I)

  本文提供了诸如式(I)所示的异吲哚类化合物，包括含有一种或多种此类化合物的药物组合物，以及它们用于治疗、预防或管理各种疾病的方法。Formula (I)
• 8-Benzyltetrahydropyrazino[2,1-<i>f</i>]purinediones: Water-Soluble Tricyclic Xanthine Derivatives as Multitarget Drugs for Neurodegenerative Diseases
  作者：Andreas Brunschweiger、Pierre Koch、Miriam Schlenk、Felipe Pineda、Petra Küppers、Sonja Hinz、Meryem Köse、Stefan Ullrich、Jörg Hockemeyer、Michael Wiese、Jag Heer、Christa E. Müller

  DOI：10.1002/cmdc.201402082

  日期：2014.5.9

  designed as tricyclic xanthine derivatives containing a basic nitrogen atom in the tetrahydropyrazine ring to improve water solubility. A library of 69 derivatives was prepared and evaluated in radioligand binding studies at adenosine receptor (AR) subtypes and for their ability to inhibit monoamine oxidases (MAO). Potent dual‐target‐directed A1/A2A adenosine receptor antagonists were identified. Several

  8-苄基取代的四氢吡嗪并[ 2,1 - f ]嘌呤二酮被设计为在四氢吡嗪环中包含碱性氮原子的三环黄嘌呤衍生物，以提高水溶性。制备了69种衍生物的文库，并在放射性配体结合研究中评估了腺苷受体（AR）亚型及其抑制单胺氧化酶（MAO）的能力。确定了有效的双靶标定向A 1 / A 2A腺苷受体拮抗剂。几种化合物显示出三重靶标抑制作用。最好的化合物之一是8-（2,4-二氯-5-氟苄基）-1,3-二甲基-6,7,8,9-四氢吡嗪并[2,1 - f ]嘌呤-2,4（1 H，3 H）-dione（72）（人类AR：K i  A 1 217 n M，A 2A 233 n M；IC 50 MAO-B：508 n M）。二氯化化合物36 [8-（3,4-二氯苄基）-1,3-二甲基-6,7,8,9-四氢吡嗪并[2,1 - f ]嘌呤-2,4（1 H，3 H）-二酮]被认为是大鼠中最佳的三靶标药物（K i  A 1
• [EN] THIAZOLES AND USES THEREOF<br/>[FR] THIAZOLES ET UTILISATIONS DE CEUX-CI
  申请人：ABBVIE INC

  公开号：WO2014176268A1

  公开（公告）日：2014-10-30

  This disclosure relates to: (a) compounds and salts thereof that, inter alia, inhibit RSV infection and/or replication; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

  这份披露涉及：(a) 抑制RSV感染和/或复制的化合物及其盐，等等；(b) 用于制备这些化合物和盐的中间体；(c) 包含这些化合物和盐的组合物；(d) 制备这些中间体、化合物、盐和组合物的方法；(e) 使用这些化合物、盐和组合物的方法；以及(f) 包含这些化合物、盐和组合物的试剂盒。
• BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF
  申请人：AMGEN INC.

  公开号：US20190077793A1

  公开（公告）日：2019-03-14

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising a compound of the invention, a method for manufacturing compounds of the invention and therapeutic uses thereof.

  本发明提供了一种式（I）的化合物或其药学上可接受的盐，包括本发明化合物的药物组合物，制造本发明化合物的方法以及它们的治疗用途。
• HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS
  申请人：INTEGRAL BIOSCIENCES PRIVATE LIMITED

  公开号：US20200206233A1

  公开（公告）日：2020-07-02

  The present disclosure relates generally to compounds useful in treatment of conditions associated with mutant isocitrate dehydrogenase (mt-IDH), particularly mutant IDH1 enzymes. Specifically, the present invention discloses compound of formula (IA), which exhibits inhibitory activity against mutant IDH1 enzymes. Method of treating conditions associated with excessive activity of mutant IDH1 enzymes with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

  本公开涉及一般用于治疗与突变异柠檬酸脱氢酶（mt-IDH）相关的疾病的化合物，特别是突变IDH1酶。具体地，本发明揭示了式（IA）的化合物，该化合物对突变IDH1酶表现出抑制活性。还公开了使用该化合物治疗与突变IDH1酶过度活性相关的疾病的方法。此外，还公开了其用途、药物组合物和试剂盒。