环喷托酯 | 512-15-2

• 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: 环喷托酯
• 英文名称: Cyclopentolate
• 英文别名: 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
• CAS: 512-15-2
• 化学式: C₁₇H₂₅NO₃
• mdl: MFCD00599448
• 分子量: 291.39
• InChiKey: SKYSRIRYMSLOIN-UHFFFAOYSA-N

物化性质

• 沸点：
  409.7±20.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)
• 物理描述：
  Solid
• 熔点：
  139°C(hydrochloridesalt)
• 溶解度：
  1.50e+00 g/L
• 保留指数：
  2010;2014;2020

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.588
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

ADMET

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用总结：目前没有关于在母乳喂养期间使用环戊醇的信息。抗胆碱药可能会干扰母乳喂养。单次剂量的眼科环戊醇不太可能干扰母乳喂养；然而，在长期使用期间，观察婴儿是否有泌乳减少的迹象（例如，不饱，体重增长不良）。为了显著减少使用眼药水后到达母乳中的药物量，可以在眼角处对泪囊施加压力1分钟或更长时间，然后用吸水纸去除多余的溶液。 ◉ 对哺乳婴儿的影响：截至修订日期，没有找到相关的已发布信息。 ◉ 对泌乳和母乳的影响：抗胆碱药可以在动物中抑制泌乳，显然是通过抑制生长激素和催产素的分泌。抗胆碱药也可以减少非哺乳妇女的血清催乳素。在已建立泌乳的母亲中，催乳素水平可能不会影响她的哺乳能力。

◉ Summary of Use during Lactation:No information is available on the use of cyclopentolate during breastfeeding. Anticholinergic drugs might interfere with breastfeeding. A single dose of ophthalmic cyclopentolate is not likely to interfere with breastfeeding; however, during long-term use, observe the infant for signs of decreased lactation (e.g., insatiety, poor weight gain). To substantially diminish the amount of drug that reaches the breastmilk after using eye drops, place pressure over the tear duct by the corner of the eye for 1 minute or more, then remove the excess solution with an absorbent tissue. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Anticholinergics can inhibit lactation in animals, apparently by inhibiting growth hormone and oxytocin secretion. Anticholinergic drugs can also reduce serum prolactin in nonnursing women. The prolactin level in a mother with established lactation may not affect her ability to breastfeed.

来源:Drugs and Lactation Database (LactMed)

吸收、分配和排泄

• 吸收

经眼给药后吸收。

Absorbed following ophthalmic administration.

来源:DrugBank

安全信息

• 海关编码：
  2922509090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Cyclopentolate
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: Cyclopentolate
CAS number: 512-15-2

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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: C17H25NO3
Molecular weight: 291.4

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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.

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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

制备方法与用途

环戊酯（DL-环戊酯）是一种阿托品样毒蕈碱受体拮抗剂，其pKB值为7.8（在环状睫状肌上）。这种药物常用于眼科实践作为抗毒蕈碱药物。

反应信息

• 作为反应物：
  描述：

  环喷托酯 在 盐酸 作用下， 以 甲醇 、 甲基叔丁基醚 为溶剂， 以63%的产率得到盐酸环喷托酯
  参考文献：
  名称：

  一种盐酸环喷托酯的制备方法

  摘要：

  本发明涉及一种M型胆碱受体阻断剂盐酸环喷托酯的制备方法，包括以下步骤：以苯乙酸为起始原料，经与环戊酮反应，生成2‑(1‑羟基环戊基)‑苯乙酸(中间体3)；后经取代、成盐反应，得到盐酸环喷托酯。该方法操作简单，安全可控，劳动保护低，适合工业化生产。

  公开号：

  CN106083615B
• 作为产物：
  描述：

  环戊酮 在 potassium carbonate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 12.5h， 生成 环喷托酯
  参考文献：
  名称：

  一种盐酸环喷托酯的制备方法

  摘要：

  本发明涉及一种M型胆碱受体阻断剂盐酸环喷托酯的制备方法，包括以下步骤：以苯乙酸为起始原料，经与环戊酮反应，生成2‑(1‑羟基环戊基)‑苯乙酸(中间体3)；后经取代、成盐反应，得到盐酸环喷托酯。该方法操作简单，安全可控，劳动保护低，适合工业化生产。

  公开号：

  CN106083615B

文献信息

• [EN] 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS<br/>[FR] COMPOSÉS 3,5-DIAMINO -6-CHLORO-N-(N- (4-PHÉNYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE
  申请人：PARION SCIENCES INC

  公开号：WO2014099673A1

  公开（公告）日：2014-06-26

  The present invention relates compounds of the formula: or pharmaceutically acceptable salts thereof, useful as sodium channel blockers, as well as compositions containing the same, processes for the preparation of the same, and therapeutic methods of use therefore in promoting hydration of mucosal surfaces and the treatment of diseases including cystic fibrosis, chronic obstructive pulmonary disease, asthma, bronchiectasis, acute and chronic bronchitis, emphysema, and pneumonia.

  本发明涉及以下化合物的公式：或其药学上可接受的盐，用作钠通道阻滞剂，以及含有这些化合物的组合物，制备这些化合物的方法，以及在促进粘膜表面水合和治疗包括囊性纤维化、慢性阻塞性肺病、哮喘、支气管扩张、急性和慢性支气管炎、肺气肿和肺炎等疾病的治疗方法。
• Piperidine derivative and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20060142337A1

  公开（公告）日：2006-06-29

  The present invention provides a compound represented by the formula: wherein Ar is an aryl group optionally having substituents, R is a C 1-6 alkyl group, R 1 is a hydrogen atom, a hydrocarbon group optionally having substituents, an acyl group or a heterocyclic group optionally having substituents, X is an oxygen atom or an imino group optionally having substituents, ring A is a piperidine ring optionally further having substituents, and ring B is a benzene ring having substituents, or a salt thereof, and an agent for the prophylaxis or treatment of lower urinary tract abnormality and the like, which contains the compound.

  本发明提供了一种由以下公式表示的化合物： 其中Ar是一个芳基基团，可选地具有取代基，R是一个C1-6烷基基团，R1是一个氢原子，一个可选地具有取代基的烃基团，酰基团或杂环基团，X是一个氧原子或一个可选地具有取代基的亚胺基团，环A是一个哌啶环，可选地进一步具有取代基，环B是一个苯环，具有取代基，或其盐，以及含有该化合物的预防或治疗下尿道异常等的药剂。
• [EN] BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS<br/>[FR] PRO-FRAGMENTS BIORÉVERSIBLES POUR MÉDICAMENTS CONTENANT DE L'AZOTE ET DE L'HYDROXYLE
  申请人：BAIKANG SUZHOU CO LTD

  公开号：WO2015081891A1

  公开（公告）日：2015-06-11

  Disclosed are promoieties of the following formula which can be used to form prodrugs of nitrogen-containing or hydroxyl-containing drug or a pharmaceutically active agent: (I) and pharmaceutical compositions comprising the prodrugs.

  披露了以下公式的促销性质，它们可用于形成含有氮或羟基的药物或药物活性剂的的前药：(I)以及包含这些前药的药物组合物。
• Piperidine derivative crystal, process for producing the same, and use
  申请人：Ikeura Yoshinori

  公开号：US20060241145A1

  公开（公告）日：2006-10-26

  The present invention provides a piperidine derivative having antagonistic action for tachykinin receptors and the like, a crystal thereof, and an agent for the prophylaxis or treatment of diseases including lower urinary tract disease and the like, which contains the derivative. Specifically, the present invention provides an optically active compound represented by the formula (I): wherein each symbol is as defined in the specification, and a salt thereof.

  本发明提供了一种对缓激肽受体等具有拮抗作用的哌啶衍生物，其晶体以及包含该衍生物的用于预防或治疗包括下尿路疾病等疾病的药剂。具体地，本发明提供了由下式（I）表示的光学活性化合物： 其中每个符号如规范中定义的那样，以及其盐。
• Benzofuran derivatives
  申请人：Tsukamoto Tetsuya

  公开号：US20100234357A1

  公开（公告）日：2010-09-16

  The present invention provides a compound represented by the following formula (I): wherein: Ring A represents an optionally substituted piperazine ring, an optionally substituted morpholine ring, or an optionally substituted homopiperazine ring; R 1 and R 2 are the same or different from each other, and represent a hydrogen atom or optionally substituted lower alkyl; R 3 and R 4 are the same or different from each other, and represent a hydrogen atom or halogenated or non-halogenated lower alkyl; R 5 to R 7 are the same or different from each other, and represent a hydrogen atom, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted lower alkoxy, optionally substituted cycloalkyl, optionally substituted aryl, an optionally substituted aromatic heterocyclic ring, optionally substituted amino, or acyl; and represents a single bond or double bond, or a salt thereof.

  本发明提供了一种由以下式（I）表示的化合物： 其中： 环A代表可选择地取代的哌嗪环、可选择地取代的吗啉环或可选择地取代的同环丙二胺环； R1和R2彼此相同或不同，代表氢原子或可选择地取代的较低烷基； R3和R4彼此相同或不同，代表氢原子或卤代或非卤代的较低烷基； R5到R7彼此相同或不同，代表氢原子、羟基、可选择地取代的较低烷基、可选择地取代的较低烯基、可选择地取代的较低烷氧基、可选择地取代的环烷基、可选择地取代的芳基、可选择地取代的芳香杂环、可选择地取代的氨基或酰基；和 代表单键或双键，或其盐。

表征谱图