3-(环戊基氧基)-4-甲氧基苯甲酰胺 | 158429-58-4

• 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: 3-(环戊基氧基)-4-甲氧基苯甲酰胺
• 英文名称: 3-(cyclopentyloxy)-4-methoxybenzamide
• 英文别名: 3-cyclopentyloxy-4-methoxybenzamide
• CAS: 158429-58-4
• 化学式: C₁₃H₁₇NO₃
• mdl: MFCD00275567
• 分子量: 235.283
• InChiKey: UOYVPADOZOGKLB-UHFFFAOYSA-N

物化性质

• 熔点：
  167-170°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25

SDS

Name:	3-(Cyclopentyloxy)-4-methoxybenzamide 97% Material Safety Data Sheet
Synonym:	3-Cyclopentoxy-4-methoxybenzamid
CAS:	158429-58-4

Section 1 - Chemical Product MSDS Name:3-(Cyclopentyloxy)-4-methoxybenzamide 97% Material Safety Data Sheet
Synonym:3-Cyclopentoxy-4-methoxybenzamid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
158429-58-4	3-(Cyclopentyloxy)-4-methoxybenzamide	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# 158429-58-4: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 167 - 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: C13H17NO3
Molecular Weight: 235

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 158429-58-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Cyclopentyloxy)-4-methoxybenzamide - 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# 158429-58-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 158429-58-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 158429-58-4 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：

  3,4,5-三氯吡啶 、 3-(环戊基氧基)-4-甲氧基苯甲酰胺 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 生成 吡拉米司特
  参考文献：
  名称：

  Compounds containing phenyl linked to aryl or heteroaryl by an

  摘要：

  这项发明涉及苯基化合物的药用，这些化合物通过各种连接与芳基团相连，用于抑制肿瘤坏死因子。该发明还涉及这些化合物、它们的制备以及含有这些化合物的药物组合物。此外，这项发明还涉及这些化合物的药用，用于抑制环状AMP磷酸二酯酶。

  公开号：

  US05679696A1
• 作为产物：
  描述：

  3-环戊氧基-4-甲基苯甲酰氯 在 ammonium hydroxide 作用下， 生成 3-(环戊基氧基)-4-甲氧基苯甲酰胺
  参考文献：
  名称：

  Compounds containing phenyl linked to aryl or heteroaryl by an

  摘要：

  这项发明涉及苯基化合物的药用，这些化合物通过各种连接与芳基团相连，用于抑制肿瘤坏死因子。该发明还涉及这些化合物、它们的制备以及含有这些化合物的药物组合物。此外，这项发明还涉及这些化合物的药用，用于抑制环状AMP磷酸二酯酶。

  公开号：

  US05679696A1

文献信息

• [EN] ORALLY AVAILABLE SEH/PDE4 DUAL INHIBITORS<br/>[FR] INHIBITEURS DOUBLES SEH/PDE4 DISPONIBLES PAR VOIE ORALE
  申请人：UNIV CALIFORNIA

  公开号：WO2019079609A1

  公开（公告）日：2019-04-25

  Provided herein are novel bioavailable dual inhibitors capable of inhibiting both soluble epoxide hydrolase (sEH) and phosphodiesterase 4 (PDE4), and methods of using the same.

  本文提供了一种新颖的生物可利用的双重抑制剂，能够抑制可溶性环氧水解酶（sEH）和磷酸二酯酶4（PDE4），以及使用这些方法。
• [EN] COMPOUNDS AND METHODS FOR INHIBITION OF HEDGEHOG SIGNALING AND PHOSPHODIESTERASE<br/>[FR] COMPOSÉS ET PROCÉDÉS D'INHIBITION DE LA SIGNALISATION HEDGEHOG ET DE LA PHOSPHODIESTÉRASE
  申请人：UNIV VANDERBILT

  公开号：WO2016040951A1

  公开（公告）日：2016-03-17

  Compounds and compositions, and methods of use thereof, are provided and have utility in inhibiting hedgehog signaling and/or phosphodiesterase-4 activity.

  提供了化合物、组合物及其使用方法，具有抑制刺猬信号和/或磷酸二酯酶4活性的效用。
• [EN] SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS<br/>[FR] COMPOSES AROMATIQUES SUBSTITUES EN TANT QU'INHIBITEURS DE LA c.AMP PHOSPHODIESTERASE ET DU FNT
  申请人：RHONE-POULENC RORER LIMITED

  公开号：WO1995020578A1

  公开（公告）日：1995-08-03

  (EN) This invention is directed to compounds of formula (I), wherein R1 is an optionally substituted lower alkyl group; R2 is an optionally substituted oxaaliphatic group; R3 is an optionally substituted aryl group or an optionally substituted heteroaryl group; Q1, Q2 and Q3 are independently nitrogen, CX or CH; Z1 is oxygen or sulfur; Z2 is -CH=CH-, -C$m(Z)C-, -CH2-CZ-, -CZCH2-, -CZ-CZ-, -CH2-NH-, -CH2-O-, -CH2-S-, -CX2-O-, -CZNH-, -NH-CH2-, -O-CH2_, -SCH2-, -SOCH2-, -SO2CH2-, -O-CX2-, -O-CZ-, -NH-CZ-, -N=N-, -NH-SO2-, -SO2-NH-, -CZ-CZ-NH-, -NH-CO-O-, -O-CO-NH- or -NH-CO-NH-; Z is oxygen or sulfur; and X is halo; or an N-oxide thereof or a pharmaceutically acceptable salt thereof, which possess useful pharmaceutical properties. They are especially useful for inhibiting the production or physiological effects of TNF and inhibit cyclic AMP. The present invention is also directed to their pharmaceutical use, pharmaceutical compositions containing the compounds, and methods for their preparation.(FR) La présente invention a pour objet des composés de la formule (I), dans laquelle R1 représente un groupe alcoyle inférieur avec substitution éventuelle; R2 représente un groupe oxa-aliphatique avec substitution éventuelle; R3 représente un groupe aryle avec substitution éventuelle ou un groupe hétéroaryle avec substitution éventuelle; Q1, Q2 et Q3 représentent, indépendamment, de l'azote, CX ou CH; Z1 représente de l'oxygène ou du soufre; Z2 représente -CH=CH-, -C$m(Z)C, -CH2-CZ-, -CZCH2-, -CZ-CZ-, -CH2-NH-, -CH2-O-, -CH2-S-, -CX2-O-, -CZNH-, -NH-CH2-, -O-CH2-, -SCH2-, SOCH2-, -SO2CH2-, -O-CX2-, -O-CZ-, -NH-CZ-, -N=N-, -NH-SO2-, -SO2-NH-, -CZ-CZ-NH-, -NH-CO-O-, -O-CO-NH- ou -NH-CO-NH-; Z représente de l'hydrogène ou du soufre; et X représente halo, ou un N-oxyde de celui-ci ou un sel pharmaceutiquement acceptable de celui-ci, qui possède des propriétés pharmaceutiques utiles. Ces composés sont particulièrement utiles pour inhiber la production ou les effets physiologiques du FNT et inhiber l'AMP cyclique. La présente invention concerne également l'utilisation pharmaceutique de ces composés, des compositions pharmaceutiques qui les contiennent et des procédés pour leur préparation.

  该发明涉及化合物(I)的公式，其中R1是可选择取代的低碳基；R2是可选择取代的氧杂脂肪基；R3是可选择取代的芳基或可选择取代的杂芳基；Q1、Q2和Q3独立地是氮、CX或CH；Z1是氧或硫；Z2是-CH=CH-、-C$m(Z)C-、-CH2-CZ-、-CZ -、-CZ-CZ-、- -NH-、- -O-、- -S-、-CX2-O-、-CZNH-、-NH- -、-O- _、-S -、-SO -、-SO2 -、-O-CX2-、-O-CZ-、-NH-CZ-、-N=N-、-NH-SO2-、-SO2-NH-、-CZ-CZ-NH-、-NH-CO-O-、-O-CO-NH-或-NH-CO-NH-；Z是氧或硫；X是卤素；或其N-氧化物或药学上可接受的盐，具有有用的药物特性。它们特别适用于抑制TNF的产生或生理效应并抑制环磷酸腺苷。本发明还涉及它们的药物用途，含有该化合物的药物组合物以及其制备方法。
• Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic-or heteroatom-containing linking group
  申请人：Aventis Pharma Limited

  公开号：US06255326B1

  公开（公告）日：2001-07-03

  This invention is directed to the pharmaceutical use of phenyl compounds, which are linked to an aryl moiety by various linkages, for inhibiting tumor necrosis factor. The invention is also directed to the compounds, their preparation and pharmaceutical compositions containing these compounds. Furthermore, this invention is directed to the pharmaceutical use of the compounds for inhibiting cyclic AMP phosphodiesterase.

  本发明涉及苯基化合物的药物用途，这些化合物通过各种连接与芳基基团相连，用于抑制肿瘤坏死因子。本发明还涉及这些化合物、它们的制备和含有这些化合物的药物组合物。此外，本发明还涉及这些化合物的药物用途，用于抑制环磷酸腺苷磷酸二酯酶。
• Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- o
  申请人：Rhone-Poulenc Rorer Limited

  公开号：US05840724A1

  公开（公告）日：1998-11-24

  This invention is directed to the pharmaceutical use of phenyl compounds, which are linked to an aryl moiety by various linkages, for inhibiting tumor necrosis factor. The invention is also directed to the compounds, their preparation and pharmaceutical compositions containing these compounds. Furthermore, this invention is directed to the pharmaceutical use of the compounds for inhibiting cyclic AMP phosphodiesterase.

  本发明涉及苯基化合物的药物用途，这些化合物通过各种连接方式与芳基基团相连，用于抑制肿瘤坏死因子。本发明还涉及这些化合物、它们的制备以及含有这些化合物的药物组合物。此外，本发明还涉及这些化合物的药物用途，用于抑制环磷酸腺苷磷酸二酯酶。