4-哌啶磺酰苯胺 | 6336-68-1

• 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: 4-哌啶磺酰苯胺
• 中文别名: 4-哌啶磺酰基苯胺；4-(哌啶-1-磺酰基)-苯胺
• 英文名称: 4-(piperidin-1-ylsulfonyl)aniline
• 英文别名: 4-(piperidine-1-sulfonyl)-phenylamine；4-piperidin-1-ylsulfonylaniline
• CAS: 6336-68-1
• 化学式: C₁₁H₁₆N₂O₂S
• mdl: MFCD00276969
• 分子量: 240.326
• InChiKey: ZTTBIWZAAMPNBE-UHFFFAOYSA-N

物化性质

• 熔点：
  169 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

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：
  R20/21/22
• 海关编码：
  2935009090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P322,P330,P332+P313,P337+P313,P340,P362,P363,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335
• 储存条件：
  储存条件：2-8°C，避光，惰性气体保护。

SDS

Name:	4-(Piperidinosulfonyl)aniline 97% Material Safety Data Sheet
Synonym:
CAS:	6336-68-1

Section 1 - Chemical Product MSDS Name:4-(Piperidinosulfonyl)aniline 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6336-68-1	4-(Piperidinosulfonyl)aniline	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6336-68-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166 - 170 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H16N2O2S
Molecular Weight: 240

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6336-68-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Piperidinosulfonyl)aniline - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6336-68-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6336-68-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6336-68-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-哌啶磺酰苯胺 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Bisaryl-sulfonamides

  摘要：

  提供了在治疗或预防由PPARγ或PPARδ介导的疾病或紊乱方面有用的化合物、组合物和方法。具体来说，本发明的化合物调节PPARγ或PPARδ的功能。该方法特别适用于治疗和/或预防糖尿病、肥胖症、高胆固醇血症、类风湿性关节炎和动脉粥样硬化。

  公开号：

  US20060084802A1
• 作为产物：
  描述：

  对硝基苯磺酰氯 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 4-哌啶磺酰苯胺
  参考文献：
  名称：

  发现高效烟酰胺磷酸核糖基转移酶降解剂，可有效治疗卵巢癌

  摘要：

  烟酰胺磷酸核糖转移酶（NAMPT）被认为是癌症治疗的一个有希望的靶点。然而，已知的NAMPT抑制剂的特点是临床疗效较弱且毒性呈剂量依赖性。迫切需要制定新的 NAMPT 干预策略。利用蛋白水解靶向嵌合体（PROTAC）技术，我们设计并合成了一系列新的von Hippel-Lindau（VHL）招募NAMPT靶向PROTAC。成功鉴定出一种高效的 NAMPT 降解剂 ( B3 )，它表现出优异的降解活性 (DC 50 < 0.17 nM，D max > 90%) 和对 A2780 细胞的抗增殖效力 (IC 50 = 1.5 nM)。PROTAC B3通过泛素-蛋白酶体系统以浓度和时间依赖性方式诱导 NAMPT 耗尽。特别是，PROTAC B3通过静脉注射实现了良好的血浆暴露水平，在异种移植模型中获得了有效的肿瘤生长抑制作用（TGI = 88.1%，2 μM/kg），并表现出良好的生物安全性，没有不良毒性。这项研究提供了一种高效的

  DOI：

  10.1021/acs.jmedchem.2c01990

文献信息

• Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06291514B1

  公开（公告）日：2001-09-18

  The present invention is directed to compounds of Formula I: wherein X is O, S or NR7 and R1-R7, Y and Z are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. Also described are methods for preparing the compounds of Formula I. The novel compounds of the present invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, plasmin and urokinase. Certain of the compounds exhibit direct, selective inhibition of urokinase, or are intermediates useful for forming compounds having such activity.

  本发明涉及以下式的化合物： 其中X为O、S或NR7，R1-R7、Y和Z如规范中所述，并且其水合物、溶剂合物或药用可接受的盐也被描述。还描述了制备上述式化合物的方法。本发明的新化合物是蛋白酶的有效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如凝血酶、胰蛋白酶、纤溶酶和尿激酶。其中某些化合物表现出对尿激酶的直接、选择性抑制，或者是用于形成具有这种活性的化合物的中间体。
• An efficient and green synthesis of polyfunctionalized spirothiazolidin-4-ones using sulfonated mesoporous silica as a reusable catalyst
  作者：Essam M. Hussein、Saleh A. Ahmed

  DOI：10.1007/s10593-017-2185-7

  日期：2017.10

  A simple and highly efficient protocol was developed for one-pot synthesis of polyfunctionalized spirothiazolidin-4-ones using sulfonated mesoporous silica (MCM-SO3H) as a heterogenous and reusable acidic catalyst. In comparison to the reported synthetic methods for the synthesis of thiazolidin-4-one and spirothiazolidin-4-one derivatives, this strategy provides superior yields under mild conditions

  开发了一种简单高效的方案，用于使用磺化介孔二氧化硅（MCM-SO 3 H）作为多相且可重复使用的酸性催化剂，一锅合成多官能化的螺噻唑烷-4-酮。与报道的合成噻唑烷酮-4-酮和螺噻唑烷酮-4-酮衍生物的合成方法相比，该策略在温和条件下提供了优异的收率，同时避免了有害溶剂的使用。
• Novel amides useful for treating pain
  申请人：Zheng Zhu Guo

  公开号：US20050080095A1

  公开（公告）日：2005-04-14

  The present invention relates to compounds of formula (I-VII) or a pharmaceutically acceptable salt or prodrug thereof, in which A, L, R 6 , R 7 and R 8 are defined herein. The present invention also relates to methods of trating pain using these compounds and pharmaceutical compositions including these compounds.

  本发明涉及式(I-VII)的化合物或其药用可接受的盐或前药，其中A、L、R6、R7和R8在此有所定义。本发明还涉及使用这些化合物治疗疼痛的方法以及包含这些化合物的药物组合物。
• Aryl aniline beta2 adrenergic receptor agonists
  申请人：——

  公开号：US20030229058A1

  公开（公告）日：2003-12-11

  The invention provides novel &bgr; 2 adrenergic receptor agonist compounds of formula (I): 1 wherein R 1 -R 13 and w have any of the values described in the specification. The invention also provides combinations of such compounds and other therapeutic agents, pharmaceutical compositions comprising such compounds and combinations, methods of using such compounds to treat diseases associated with &bgr; 2 adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  这项发明提供了式（I）的新型β2肾上腺素受体激动剂化合物： 其中R1-R13和w具有规范中描述的任何值。该发明还提供了这些化合物与其他治疗剂的组合，包含这些化合物和组合物的药物组合物，使用这些化合物治疗与β2肾上腺素受体活性相关的疾病的方法，以及用于制备这些化合物的有用的过程和中间体。
• Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use
  申请人：JAEHNE Gerhard

  公开号：US20090215728A1

  公开（公告）日：2009-08-27

  This invention relates to arylaminoaryl-alkyl-substituted imidazolidone-2,4-diones of formula (I) and also to their physiologically tolerated salts: Wherein R, R′, R1 to R10, A, D, E, G, L and p are as defined herein. The invention also relates to processes for preparing them, pharmaceutical compositions comprising them and their therapeutic use. The compounds are suitable, for example, as anti-obesity drugs and for treating cardiometabolic syndrome.

  这项发明涉及公式（I）中的芳基氨基芳基烷基取代的咪唑烷二酮及其生理耐受的盐： 其中R、R'、R1至R10、A、D、E、G、L和p如本文所定义。该发明还涉及制备它们的方法、包含它们的药物组合物以及它们的治疗用途。这些化合物适用于例如作为抗肥胖药物和治疗心脏代谢综合征。