5-Phenyl-1,2,4-dithiazol-3-on | 7047-10-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Phenyl-1,2,4-dithiazol-3-on
• 英文别名: 5-phenyl-3H-1,2,4-dithiazol-3-one；5-Phenyl-3H-1,2,4-dithiazolon-3；5-phenyl-1,2,4-dithiazole-3-one；5-Phenyl-1,2,4-dithiazol-3-one
• CAS: 7047-10-1
• 化学式: C₈H₅NOS₂
• 分子量: 195.266
• InChiKey: LKDWQHQNDDNHSC-UHFFFAOYSA-N

物化性质

• 溶解度：
  乙腈: 可溶0.1M, clear

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80
• 氢给体数：
  0
• 氢受体数：
  3

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Sulfur 42
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 7047-10-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C8H5NOS2
Molecular Weight : 195,26 g/mol
CAS-No. : 7047-10-1
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone [phone], test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-Phenyl-1,2,4-dithiazol-3-on 在 L-半胱氨酸 作用下， 以 aq. phosphate buffer 、 二甲基亚砜 为溶剂， 生成 硫代苯甲酰胺
  参考文献：
  名称：

  [EN] COMPOUNDS FOR THIOL-TRIGGERED COS AND/OR H2S RELEASE AND METHODS OF MAKING AND USING THE SAME
  [FR] COMPOSÉS POUR LA LIBÉRATION DE COS ET/OU DE H2S DÉCLENCHÉE PAR THIOL ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION

  摘要：

  本文揭示了一种化合物的实施例，该化合物能够在与含硫醇化合物反应时释放COS和/或H2S。该化合物实施例还可以在释放COS和/或H2S的同时产生可检测的信号（例如，荧光信号），和/或释放活性剂，如治疗剂。还公开了制备和使用该化合物实施例的方法。

  公开号：

  WO2019231503A1
• 作为产物：
  描述：

  2-phenyl-thiazolidine-4,5-dione 生成 5-Phenyl-1,2,4-dithiazol-3-on
  参考文献：
  名称：

  Tsuge,O. et al., Heterocycles, 1976, vol. 5, p. 189 - 194

  摘要：

  DOI：
• 作为试剂：
  描述：

  、 3’-O-(4,4’-二甲氧基三苯甲基)胸苷 在 5-Phenyl-1,2,4-dithiazol-3-on 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.67h， 生成
  参考文献：
  名称：

  [EN] OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF
  [FR] COMPOSITIONS D'OLIGONUCLÉOTIDES ET PROCÉDÉS ASSOCIÉS

  摘要：

  本公开提供了经修改的寡核苷酸及其组合物和方法。在某些实施方式中，提供的技术包括修改的糖或修改的核苷酸间连接。在某些实施方式中，本公开提供了用于制备修改的寡核苷酸的技术。在某些实施方式中，本公开提供了对手性控制的寡核苷酸组合物及其制备和用途的方法。

  公开号：

  WO2021237223A1

文献信息

• [EN] COMPOUNDS, COMPOSITIONS AND METHODS FOR SYNTHESIS<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS DE SYNTHÈSE
  申请人：WAVE LIFE SCIENCES LTD

  公开号：WO2018237194A1

  公开（公告）日：2018-12-27

  The present disclosure, among other things, provides technologies for synthesis, including reagents and methods for stereoselective synthesis. In some embodiments, the present disclosure provides compounds useful as chiral auxiliaries. In some embodiments, the present disclosure provides reagents and methods for oligonucleotide synthesis. In some embodiments, the present disclosure provides reagents and methods for chirally controlled preparation of oligonucleotides. In some embodiments, technologies of the present disclosure are particularly useful for constructing challenging internucleotidic linkages, providing high yields and stereoselectivity.

  本公开内容提供了合成技术，包括用于立体选择性合成的试剂和方法。在某些实施例中，本公开内容提供了作为手性辅助剂有用的化合物。在某些实施例中，本公开内容提供了用于寡核苷酸合成的试剂和方法。在某些实施例中，本公开内容提供了用于手性控制寡核苷酸制备的试剂和方法。在某些实施例中，本公开内容的技术特别适用于构建具有挑战性的核苷酸间连接，提供高产率和立体选择性。
• [EN] RNAI AGENTS FOR INHIBITING EXPRESSION OF BETA-ENAC, COMPOSITIONS THEREOF, AND METHODS OF USE<br/>[FR] AGENTS D'ARNI POUR INHIBER L'EXPRESSION DE BETA-ENAC, LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：ARROWHEAD PHARMACEUTICALS INC

  公开号：WO2021086995A1

  公开（公告）日：2021-05-06

  Described are RNAi agents, compositions that include RNAi agents, and methods for inhibition of a beta-ENaC (SCNN1B) gene. The beta-ENaC RNAi agents and RNAi agent conjugates disclosed herein inhibit the expression of a beta-ENaC gene. Pharmaceutical compositions that include one or more beta-ENaC RNAi agents, optionally with one or more additional therapeutics, are also described. Delivery of the described beta-ENaC RNAi agents to epithelial cells, such as pulmonary epithelial cells, in vivo, provides for inhibition of beta-ENaC gene expression and a reduction in ENaC activity, which can provide a therapeutic benefit to subjects, including human subjects, for the treatment of various diseases including chronic obstructive pulmonary disease (COPD).

  描述了RNAi药剂、包含RNAi药剂的组合物，以及抑制β-ENaC（SCNN1B）基因的方法。本文披露的β-ENaC RNAi药剂和RNAi药剂结合物抑制了β-ENaC基因的表达。还描述了包含一个或多个β-ENaC RNAi药剂的药物组合物，可选地与一个或多个额外治疗药物一起使用。将所述的β-ENaC RNAi药剂传递至上皮细胞，如体内的肺上皮细胞，可实现抑制β-ENaC基因表达和减少ENaC活性，这可以为受试者，包括人类受试者，提供治疗益处，用于治疗包括慢性阻塞性肺疾病（COPD）在内的各种疾病。
• [EN] TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION<br/>[FR] TECHNOLOGIES UTILES POUR LA PRÉPARATION D'OLIGONUCLÉOTIDES
  申请人：WAVE LIFE SCIENCES LTD

  公开号：WO2020191252A1

  公开（公告）日：2020-09-24

  Among other things, the present disclosure provides technologies for oligonucleotide preparation, particularly chirally controlled oligonucleotide preparation, which technologies provide greatly improved crude purity and yield, and significantly reduce manufacturing costs.

  除其他事项外，本公开提供了寡核苷酸制备技术，特别是手性控制的寡核苷酸制备技术，这些技术大大提高了粗品纯度和产量，并显著降低了制造成本。
• Cyclic Sulfenyl Thiocarbamates Release Carbonyl Sulfide and Hydrogen Sulfide Independently in Thiol-Promoted Pathways
  作者：Yu Zhao、Andrea K. Steiger、Michael D. Pluth

  DOI：10.1021/jacs.9b06319

  日期：2019.8.28

  significantly-reduced tox-icity, but the mechanism of H2S release from thioamides remains unclear. Herein, we reported the synthesis and evaluation of a class of thioamide-derived sulfenyl thiocarbamates (SulfenylTCMs) that function as a new class of H2S donors. These com-pounds are efficiently activated by cellular thiols to release carbonyl sulfide (COS), which is quickly converted to H2S by car-bonic

  硫化氢 (H2S) 是一种重要的信号分子，在各种生理和病理过程中提供保护活性。在不同类型的 H2S 供体化合物中，硫代酰胺由于预先与非甾体抗炎药 (NSAID) 结合以获得毒性显着降低的 H2S-NSAID 杂化物而受到关注，但硫代酰胺释放 H2S 的机制还不清楚。在此，我们报道了一类硫代酰胺衍生的硫基硫代氨基甲酸酯 (SulfenylTCMs) 的合成和评估，其作为一类新的 H2S 供体。这些化合物被细胞硫醇有效激活以释放硫化羰 (COS)，硫化羰 (COS) 被碳酸酐酶 (CA) 迅速转化为 H2S。此外，通过机理研究，我们确定不依赖于 COS 的 H2S 释放途径也是有效的。与基于硫代酰胺的母体供体相比，SulfenylTCM 表现出高达 90% 的出色 H2S 释放效率，并通过机械定义明确的途径发挥作用。此外，我们证明硫磺基硫代氨基甲酸酯基团很容易连接到常见的 NSAIDs，如萘普生，以产生
• SULFUR TRANSFER REAGENTS FOR OLIGONUCLEOTIDE SYNTHESIS
  申请人：Guzaev Andrei P.

  公开号：US20110137021A1

  公开（公告）日：2011-06-09

  The use of N-formamidino-5-amino-3H-1,2,4-dithiazole-3-thiones, 5-phenyl-3H-1,2,4-dithiazole-3-thiones, and derivatives thereof as novel, efficient sulfur-transfer reagents is disclosed. Sulfur transfer from these reagents to compounds containing a P(III) atom (e.g., triphenylphosphine, 5′-O-DMT-thymidine 2-cyanoethyl-(N,N-diisopropyl)phosphoramidite, and 5′-O-DMT-3′-O-levulinyl dithymidilyl 2-cyanoethyl phosphite), was studied in solution by 31 P NMR and HPLC. The sulfur transfer from title compounds was also studied in the solid-phase synthesis of oligonucleotide phosphorothioates by phosphoramidite methods. In this application, the efficiency of the sulfur transfer reaction for 2′-deoxyoligonucleotides was better than 99.5%. The novel sulfurizing agents are synthesized, at low cost, using simple chemical methods. As opposed to many sulfur transfer reagents known in the prior art such as 1,2-benzodithiol-3-one-1,1-dioxide (Beaucage reagent) and 5-ethoxy-3H-1,2,4-dithiazole-2-one (EDIT), the sulfurizing agents disclosed herein are highly stable in solution, which increases their practical and commercial value.

  本文披露了N-甲酰胺基-5-氨基-3H-1,2,4-二硫代唑-3-硫酮、5-苯基-3H-1,2,4-二硫代唑-3-硫酮及其衍生物作为新型高效的硫转移试剂的用途。从这些试剂向含有P(III)原子的化合物（例如三苯基膦、5′-O-DMT-胸苷2-氰基乙基-(N,N-二异丙基)磷酰胺酯和5′-O-DMT-3′-O-左旋丙酰基二胸苷基2-氰基乙基磷酸酯）进行硫转移的研究，通过31P NMR和HPLC在溶液中进行。此外，还研究了这些化合物的硫转移在磷酰胺酯方法合成寡核苷酸磷硫酸酯的固相合成中的应用。在这个应用中，对于2′-脱氧寡核苷酸，硫转移反应的效率超过99.5%。这些新型硫化剂采用简单的化学方法以低成本合成。与许多已知的硫转移试剂（如1,2-苯并二硫代唑-3-酮-1,1-二氧化物（Beaucage试剂）和5-乙氧基-3H-1,2,4-二硫代唑-2-酮（EDIT））相比，本文披露的硫化试剂在溶液中具有高度稳定性，这提高了它们的实用和商业价值。