22457-55-2

• 常用中文名：3-磷酸基-D-甘油酸钡盐二水合物
• 常用英文名：3-Phosphoglyceric acid barium
• CAS号：22457-55-2
• 分子式：C₃H₅BaO₇P
• 分子量：321.368
• 相关类别： 研究领域 代谢疾病
• 发布时间：2018-12-17 12:29:58
• 更新时间：2024-01-04 14:55:44
• 3-Phosphoglyceric acid barium 是一种糖酵解和卡尔文循环中的代谢中间体。3-Phosphoglyceric acid barium 可参与肺泡巨噬细胞的表观遗传调控。

名称

• 中文名: 3-磷酸基-D-甘油酸钡盐二水合物
• 英文名: 3-Phospho-D-glyceric Acid Barium Salt Dihydrate
• 中文别名: 3-磷酸化-D-甘油酸钡盐; 3-磷酸基-D-甘油酸钡二水合物; 3-磷酸基-D-甘油酸钡
• 英文别名: {2-Hydroxy-3-[(phosphono-κO,O')oxy]propanoato(2-)}barium; 3-PHOSPHO-D-GLYCERIC ACID BARIUM SALT; Barium, [2-hydroxy-3-[(phosphono-κO,κO')oxy]propanoato(2-)]-; BARIUM 3-PHOSPHO-D-GLYCERATE DIHYDRATE; barium 3-phospho-d-glycerate; Einecs 245-012-9; 3-Phospho-D-glyceric Acid BariuM Salt Dihydrate

物化性质

• 沸点: 536.6ºC at 760mmHg
• 分子式: C₃H₅BaO₇P
• 分子量: 321.368
• 闪点: 278.3ºC
• 精确质量: 321.882538
• PSA: 246.20000
• 蒸汽压: 9.37E-14mmHg at 25°C
• 计算化学:

  1、疏水参数计算参考值（XlogP）:

  2、氢键供体数量：2

  3、氢键受体数量：7

  4、可旋转化学键数量:3

  5、互变异构体数量：

  6、拓扑分子极性表面积（TPSA）:130

  7、重原子数量：12

  8、表面电荷：0

  9、复杂度：171

  10、同位素原子数量：0

  11、确定原子立构中心数量：0

  12、不确定原子立构中心数量：0

  13、确定化学键立构中心数量：0

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：2

• 更多:

  1.性状：未确定

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：未确定

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率： .折射率 -7.5 ° (C=1, 1mol/L HCl)

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：未确定

生物活性

• 描述: 3-Phosphoglyceric acid barium 是一种糖酵解和卡尔文循环中的代谢中间体。3-Phosphoglyceric acid barium 可参与肺泡巨噬细胞的表观遗传调控。
• 相关类别:
  研究领域 >> 代谢疾病
• 体外研究: 3-磷酸甘油酸(400μM；24小时；BMDMs)治疗增强了VHL缺陷巨噬细胞中Spp1的转录,减少的H3K4me3修饰也被逆转[1]。3-磷酸甘油处理显著增加IL-4刺激巨噬细胞中Spp1的基因表达和H3K4me3沉积[1]。在酵母中,3-磷酸甘油酸作为多组分酶复合物(包括丝氨酸代谢酶和丙酮酸激酶亚型2(PKM2)同源物)形成的代谢检查点,该复合物感知丝氨酸代谢和糖酵解,并调节H3K4甲基化和组蛋白磷酸化[1]。RT-PCR[1]细胞系：骨髓源性巨噬细胞(BMDMs)浓度：400μM孵育时间：24小时结果：VHL缺陷巨噬细胞Spp1转录增强,H3K4me3修饰减少。
• 参考文献:

  [1]. Zhang W, et al. The E3 ligase VHL controls alveolar macrophage function via metabolic-epigenetic regulation. J Exp Med. 2018 Dec 3;215(12):3180-3193.

MSDS

3-Phospho-D-glyceric Acid Barium Salt Dihydrate Revision number: 6 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:3-Phospho-D-glyceric Acid Barium Salt Dihydrate Revision number:6 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Acute toxicity (Oral)Category 3 Category 3 Acute toxicity (Inhalation) ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger Hazard statementsToxic if swallowed or if inhaled Precautionary statements: [Prevention]Avoid breathing dust/fume/gas/mist/vapours/spray. Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. [Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. [Storage]Store in a well-ventilated place. Keep container tightly closed. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:3-Phospho-D-glyceric Acid Barium Salt Dihydrate Percent:>98.0%(T) CAS Number:22457-55-2 Barium 3-Phospho-D-glycerate Dihydrate Synonyms: Chemical Formula:C3H5BaO7P·2H2O 3-Phospho-D-glyceric Acid Barium Salt Dihydrate Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should emergency procedures: be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place. Store locked up. Store away from incompatible materials such as oxidizing agents. Comply with laws. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Impervious gloves. Hand protection: Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. 3-Phospho-D-glyceric Acid Barium Salt Dihydrate Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Crystal- Powder Form: Colour:White - Almost white No data available Odour: pH: No data available Melting point/freezing point:No data available Boiling point/range:No data available No data available Flash point: Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): [Water]No data available [Other solvents] Soluble:Hydrochloric acid Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Phosphorus oxides products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. 3-Phospho-D-glyceric Acid Barium Salt Dihydrate Section14. TRANSPORT INFORMATION Hazards Class:6.1: Toxic substance. UN-No:1564 Proper shipping name:Barium compound, n.o.s. Packing group:III Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

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