双-(4-甲基-1-单哌嗪硫代羰基)二硫醚 | 26087-98-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 双-(4-甲基-1-单哌嗪硫代羰基)二硫醚
• 英文名称: bis(4-methyl-1-homopiperazinylthiocarbonyl)disulfide
• 英文别名: FLA 63；bis(4-methyl-4-aza-1,1-hexamethylene)thiuram disulfide；bis((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thiocarbamoyl)disulfide；Bis((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thiocarbonyl)disulfide；(4-methyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-methyl-1,4-diazepane-1-carbodithioate
• CAS: 26087-98-9
• 化学式: C₁₄H₂₆N₄S₄
• mdl: MFCD00010578
• 分子量: 378.651
• InChiKey: NXJOFTRBTBDSHB-UHFFFAOYSA-N

物化性质

• 熔点：
  142°C
• 密度：
  1.3290 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090

SDS

Name:	Bis(4-methyl-1-piperazinylthiocarbonyl)disulfide Material Safety Data Sheet
Synonym:	None Known
CAS:	26087-98-9

Section 1 - Chemical Product MSDS Name:Bis(4-methyl-1-piperazinylthiocarbonyl)disulfide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
26087-98-9	Bis(4-methyl-1-piperazinylthiocarbonyl	ca. 100	247-450-6

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use carbon dioxide or dry chemical.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Deep freeze (below -20C).

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 26087-98-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 142-143 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 200 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H26N4S4
Molecular Weight: 378.63

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Sulfur dioxide, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 26087-98-9: JO1506000 LD50/LC50:
Not available.
Carcinogenicity:
Bis(4-methyl-1-piperazinylthiocarbonyl)disulfide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Not regulated as a hazardous material.

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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# 26087-98-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26087-98-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26087-98-9 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

• 作为产物：
  描述：

  N-甲基高哌嗪 在 sodium hydroxide 、 sodium nitrite 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 0.41h， 生成 双-(4-甲基-1-单哌嗪硫代羰基)二硫醚
  参考文献：
  名称：

  高哌嗪衍生的女性控制的阴道滴虫酸避孕药：结构-活动关系的补充。

  摘要：

  背景技术在我们先前的工作中，已经合成了几种哌嗪衍生的双（二烷基胺硫代羰基）二硫化物和二硫代氨基甲酸的二硫化物酯，并评估了它们的杀精和杀微生物功效。这些研究为开发处于临床前阶段的双重活性阴道杀菌剂提供了一些有希望的化合物。目的本研究的主要目的是对双（二烷基胺硫代羰基）二硫化物（4-15）和2,2'-二硫代二烷基双（3-（取代的-1-基）丙烷-2,1-二基）进行设计合成和生物学评估。作为非表面活性剂分子的二取代-1-碳二硫酸酯（19-28），能够消除阴道毛滴虫以及不可逆地快速固定100％人类精子。方法杀菌，抗毛滴虫，按照报道的方法进行了合成化合物的细胞毒性和生物相容性研究。结果发现双（二烷基胺硫代羰基）二硫化物（表1中的4-15）中，化合物4（MEC 0.02 mM）是最理想的杀精子活性，因为它的活性比Nonoxynol-9（N-9）高40倍，并且对阴道毛滴虫（MIC 0.02＆1.10 mM

  DOI：

  10.2174/1573406414666180524094429

文献信息

• PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OR PREVENTION OF OSTEOARTICULAR DISEASES
  申请人：Bone Therapeutics

  公开号：EP2257289B1

  公开（公告）日：2018-09-19
• FORMULATIONS INVOLVING SOLVENT/DETERGENT-TREATED PLASMA (S/D PLASMA) AND USES THEREOF
  申请人：Bone Therapeutics S.A.

  公开号：EP2900247A1

  公开（公告）日：2015-08-05
• A COMPOSITION, A KIT AND USE THEREOF
  申请人：TheraVet SA

  公开号：EP3996722A1

  公开（公告）日：2022-05-18
• A METHOD FOR THE PREPARATION OF A GEL-FORMING COMPOSITION
  申请人：TheraVet SA

  公开号：EP3996673A1

  公开（公告）日：2022-05-18
• Soft tissue implants and drug combination compositions, and use thereof
  申请人：Hunter L. William

  公开号：US20070196421A1

  公开（公告）日：2007-08-23

  Soft tissue implants (e.g., breast, pectoral, chin, facial, lip, and nasal implants) are used in combination with an anti-scarring drug combination in order to inhibit scarring that may otherwise occur when the implant is placed within an animal.

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