1-(氨基氧甲基)-4-氯苯基盐酸盐 | 38936-60-6

• 物质功能分类: 有机原料 - 氨基化合物
• 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-(氨基氧甲基)-4-氯苯基盐酸盐
• 中文别名: 4-氯苄氧胺盐酸盐；1-[(氨基氧基)甲基]-4-氯苯氯；对氯苄氧胺盐酸盐；O-(4-氯苄基)羟胺盐酸盐
• 英文名称: O-(4-chlorobenzyl)hydroxylamine hydrochloride
• 英文别名: O-[(4-chlorophenyl)methyl]hydroxylamine;hydron;chloride
• CAS: 38936-60-6
• 化学式: C₇H₈ClNO*ClH
• 分子量: 194.061
• InChiKey: VIFDVZZLHVXUHV-UHFFFAOYSA-N

物化性质

• 熔点：
  230°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922199090
• 包装等级：
  II
• 危险类别：
  4.1
• 危险性防范说明：
  P240,P210,P241,P264,P280,P302+P352,P370+P378,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险品运输编号：
  1325
• 危险性描述：
  H315,H319,H228
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-[(Ammoniooxy)methyl]-4-chlorobenzene chloride
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-[(Ammoniooxy)methyl]-4-chlorobenzene chloride
CAS number: 38936-60-6

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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: C7H8ClNO.ClH
Molecular weight: 194.1

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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-(氨基氧甲基)-4-氯苯基盐酸盐 在 盐酸 、 三乙胺-硼烷 、 sodium acetate 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 18.0h， 生成 2-(4-chlorobenzyloxyamino)acetic acid
  参考文献：
  名称：

  碳酸酐酶和基质金属蛋白酶抑制剂。磺酰化异羟肟酸酯对人肿瘤相关同工酶IX和胞质同工酶I和II的抑制作用。

  摘要：

  合成了一系列磺酰化的异羟肟酸酯，并将其评估为人类碳酸酐酶（hCAs）和基质金属蛋白酶（MMPs）的双重抑制剂，这两种金属酶家族参与致癌和肿瘤侵袭过程。在三种CA同工酶（胞质同工酶I和II，以及跨膜，与肿瘤相关的同工酶IX）以及人明胶酶（MMP-2和MMP-9）上测试了新衍生物。一些新的衍生物被证明是CA II的有效抑制剂和选择性抑制剂，但是只有化合物3b和6b（没有芳基磺酰基部分）对hCA IX的抑制活性比对hCA I和II的抑制作用要好，在微摩尔范围内。

  DOI：

  10.1016/j.bmc.2007.01.023
• 作为产物：
  描述：

  1-[(氨基氧基)甲基]-4-氯苯 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 生成 1-(氨基氧甲基)-4-氯苯基盐酸盐
  参考文献：
  名称：

  脲衍生物与对醌甲基化物的乙烯基氮杂-迈克尔加成，然后是氧化脱芳环化：螺咪唑烷酮衍生物的方法

  摘要：

  在此，我们报告了一种在温和条件下从对醌甲基化物 ( p- QMs) 和二烷氧基脲合成螺-咪唑烷酮-环己二烯酮的有效方案。该策略遵循两步过程，包括将脲衍生物初始与p- QMs 进行乙烯基共轭加成，然后将开链产物氧化脱芳环化成预期的螺-咪唑烷酮。该协议表现出良好的官能团耐受性，并提供了一种直接的方法来访问螺-咪唑烷酮-环己二烯酮。在后续化学中，我们已经展示了螺咪唑烷酮的脱苄基化作用，得到N-羟基环脲。

  DOI：

  10.1002/adsc.202100077
• 作为试剂：
  描述：

  Benzyloxyphthalimide 、 邻苯二甲酸亚胺 、 一水合肼 、 盐酸 在 1-(氨基氧甲基)-4-氯苯基盐酸盐 、 sodium hydroxide 、 乙醚 、 水 、 CO3 、 盐酸 、 product 、 乙醇 作用下， 以 N,N-二甲基甲酰胺 、 甲醇 为溶剂， 反应 3.0h， 以gave the pure hydroxylamine hydrochloride as shiny white plates (9.5 g, 96%), m.p. 235° C. [lit. m.p. 245° C.; Schumann, E. L., Heinzelman, R. V., Greig, M. E., and Veldkamp, W., J. Med. Chem. 1964, 7, 329]的产率得到1-(氨基氧甲基)-4-氯苯基盐酸盐
  参考文献：
  名称：

  Quaternary pyridinium compounds and uses therefor

  摘要：

  以下公式的四元吡啶化合物可用作乙酰胆碱酯酶抑制剂：##STR1##

  公开号：

  US05290942A1

文献信息

• Mandelic acid derivatives and their use as throbin inhibitors
  申请人：——

  公开号：US20040019033A1

  公开（公告）日：2004-01-29

  There is provided a compound of formula I 1 wherein R a , R 1 , R 2 , Y and R 3 have meanings given in the description and pharmaceutically acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants.

  提供了一种公式I的化合物 1 其中R a , R 1 , R 2 , Y和R 3 具有说明书中给出的含义以及药学上可接受的衍生物（包括前药），这些化合物和衍生物可用作竞争性胰蛋白酶样蛋白酶抑制剂，如凝血酶，因此，特别是用于需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。
• Synthesis and Fungicidal Activity of 12-Alkoxyiminothiopentadecanlactones
  作者：Chen Meng、Jian-jun Li、Xiao-mei Liang、Jian-jun Zhang、Dao-quan Wang

  DOI：10.1080/10426507.2014.884095

  日期：2014.10.3

  series of novel 12-alkoxyiminothiopentadecanlactones were synthesized starting from 2-nitrocyclododecanone by Michael addition to acrolein, followed by selective reduction of the aldehyde group, conversion of hydroxyl group to mercapto group, ring expansion, Nef reaction, and finally reaction with alkoxyamines. Their structures were confirmed by 1H NMR, 13C NMR spectra, and mass spectrometry. The Z and E

  图形摘要 摘要 以 2-硝基环十二酮为原料，通过迈克尔加成到丙烯醛，然后选择性还原醛基，羟基转化为巯基，扩环，Nef 反应，最后与 2-硝基环十二烷酮反应，合成了一系列新型 12-烷氧基亚氨基硫代十五烷内酯。烷氧基胺。它们的结构经 1H NMR、13C NMR 谱和质谱证实。一些标题化合物的 Z 和 E 异构体通过柱色谱分离，它们的构型通过 1 H NMR 确定。这些化合物对天门冬青霉表现出优异的杀真菌活性，并且优于商业杀真菌剂百菌清。
• [EN] PHARMACEUTICAL COMBINATION<br/>[FR] COMBINAISON PHARMACEUTIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2003101956A1

  公开（公告）日：2003-12-11

  There is provided a combination product comprising: (1) a compound of claim 1 in WO 02/44145 or a compound of claim 20 in WO 02/44145 (or derivative thereof)or a pharmaceutically-acceptable derivative thereof; and (1) a compound as defined in claim 1 of WO 01/28992 or (2) a compound of Claim 34 of WO 01/28992 or (3) Compound A or B or C or D (or pharmaceutically-acceptable salts thereof) for use in treating arrhythmia or a coagulation controlled complication thereof.

  提供了一种组合产品，包括：(1) WO 02/44145中权利要求1的化合物或WO 02/44145中权利要求20的化合物（或其衍生物）或药用可接受的衍生物；以及（1）WO 01/28992中权利要求1定义的化合物或（2）WO 01/28992中权利要求34的化合物或（3）化合物A或B或C或D（或药用可接受的盐）用于治疗心律不齐或其凝血控制的并发症。
• Structure-activity relationships of pyrimidine nucleotides containing a 5′-α,β-methylene diphosphonate at the P2Y6 receptor
  作者：Paola Oliva、Mirko Scortichini、Clemens Dobelmann、Shanu Jain、Varun Gopinatth、Kiran S. Toti、Ngan B. Phung、Anna Junker、Kenneth A. Jacobson

  DOI：10.1016/j.bmcl.2021.128137

  日期：2021.8

  highest human P2Y6R potency (MRS4554, 0.57 µM), and a 5-fluoro substitution of the cytosine ring in 28 similarly enhanced potency, with >175- and 39-fold selectivity over human P2Y14R, respectively. However, 3-alkyl (31 – 33, 37, 38), β-D-arabinofuranose (39) and 6-aza (40) substitution prevented P2Y6R activation. Thus, we have identified new α,β -methylene bridged N4-extended CDP analogues as P2Y6R

  G q偶联 P2Y 6受体 (P2Y 6 R) 是嘌呤能信号系统的组成部分，在炎症、心血管和代谢过程中发挥作用。UDP 是天然的 P2Y 6 R 激动剂和 P2Y 14 R 部分激动剂，可被核酸外切酶水解。因此，我们合成了含有稳定α,β-亚甲基桥的UDP/CDP类似物作为P2Y 6 R激动剂，并鉴定了相容的亲和力增强嘧啶修饰。使用 4-苄氧基亚氨基胞苷 5'-二磷酸类似物探索受体上的远端结合区域，并通过钙动员测定测定其效力。25中的 4-三氟甲基-苄氧基亚氨基取代基提供了最高的人 P2Y 6 R 效力（MRS4554，0.57 µM），而28中胞嘧啶环的 5-氟取代基也同样增强了效力，选择性分别比 25 强 175 倍和 39 倍。分别为人 P2Y 14 R。然而，3-烷基 ( 31 – 33 , 37 , 38 )、β-D-阿拉伯呋喃糖 ( 39 ) 和 6-氮杂 ( 40 ) 取代阻止了
• [EN] PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS<br/>[FR] NUCLÉOTIDES DE PURINE ET DE PYRIMIDINE EN TANT QU'INHIBITEURS DE L'ECTO-5'-NUCLÉOTIDASE
  申请人：US HEALTH

  公开号：WO2020037275A1

  公开（公告）日：2020-02-20

  Disclosed is a compound of formula (I), wherein Q, U, T, A, a, b, c, and n are as defined herein. Also disclosed are methods of inhibiting ecto‑5'‑nucleotidase, inhibiting suppression of an antitumor immune response, inhibiting tumor growth of a cancerous tumor, inhibiting metastasis of cancer in a mammal afflicted with cancer, synergistically enhancing a response of a mammal afflicted with cancer undergoing treatment with an immunotherapeutic anti‑cancer agent, potentiating an activity of an inhibitor of nicotinamide phosphoribosyltransferase in a mammal undergoing treatment of a mammal with the inhibitor, and treating preeclampsia in a mammal in need thereof, comprising administering to an animal an effective amount of a compound of formula (I).

  揭示了一种具有式（I）的化合物，其中Q、U、T、A、a、b、c和n的定义如本文所述。还揭示了抑制外源性5'-核苷酸酶、抑制抗肿瘤免疫应答抑制、抑制癌症肿瘤生长、抑制哺乳动物患有癌症的转移、在接受免疫治疗抗癌剂治疗的患有癌症的哺乳动物的反应协同增强、在接受抑制剂治疗的哺乳动物中增强烟酰胺磷酸核糖转移酶的活性、以及治疗患有妊高症的哺乳动物的方法，包括向动物投与式（I）化合物的有效量。