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| 中文名 | 阿西维辛 |
|---|---|
| 英文名 | Acivicin |
| 中文别名 | 异恶唑醋酸 |
| 英文别名 |
5-isoxazoleacetic acid, a-amino-3-chloro-4,5-dihydro-, (aS,5S)-
(2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Acivicine ACIA 5-Isoxazoleacetic acid, α-amino-3-chloro-4,5-dihydro-, (αS,5S)- AT-125 (αS,5S)-α-Amino-3-chloro-2-isoxazoline-5-acetic acid (S-(R*,R*))-4,5-Dihydro-a-amino-3-chloro-5-isoxazoleacetic Acid (S-(R*,R*))-4,5-Dihydro-α-amino-3-chloro-5-isoxazoleacetic acid Acivicinum Antibiotic AT 125 (α-S,5S)-α-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid Acivicino (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Acivicin (2S)-amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid (a-S,5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic Acid |
| 描述 | Acivicin (AT-125) 是一种由猪链霉菌产生的天然产物,是 γ-谷氨酰转肽酶 (GGT) 抑制剂。Acivicin 可以跨越血脑屏障,并具有抗癌,抗寄生虫的特性。 |
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| 相关类别 | |
| 靶点 |
GGT[1] |
| 参考文献 |
| 密度 | 1.9±0.1 g/cm3 |
|---|---|
| 沸点 | 341.6±48.0 °C at 760 mmHg |
| 熔点 | >200ºC (dec.) |
| 分子式 | C5H7ClN2O3 |
| 分子量 | 178.574 |
| 闪点 | 160.4±29.6 °C |
| 精确质量 | 178.014526 |
| PSA | 84.91000 |
| LogP | -0.31 |
| 蒸汽压 | 0.0±1.6 mmHg at 25°C |
| 折射率 | 1.664 |
| 储存条件 | 密封、在2 ºC -8 ºC下保存 |
| 稳定性 | 常规情况下不会分解，没有危险反应 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-2.7 2.氢键供体数量:2 3.氢键受体数量:5 4.可旋转化学键数量:2 5.互变异构体数量:2 6.拓扑分子极性表面积84.9 7.重原子数量:11 8.表面电荷:0 9.复杂度:206 10.同位素原子数量:0 11.确定原子立构中心数量:2 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:1 |
| 更多 | 1. 性状：未确定 2. 密度（g/mL,25ºC）：未确定 3. 相对蒸汽密度（g/mL,空气=1）： 未确定 4. 熔点（ºC）：40 5. 沸点（ºC）：未确定 6. 沸点（ºC，11mm hg）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（ºC）：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 |
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Version 1.2
Regulation (EC) No 1907/2006 1 - Product and Company Information Product NameACIVICIN 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Harmful by inhalation, in contact with skin and if swallowed.
3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number ACIVICIN42228-92-2 NoneNone FormulaC5H7ClN2O3 Molecular Weight 178,6000 AMU SynonymsAcivicine * (alpha-S,5S)-alpha-Amino-3-chloro-4,5-dihydro-5-i soxazoleacetic acid * Antibiotic AT 125 * AT 125 * (S-(R*,R*))-4,5-Dihydro-alpha-amino-3-chloro-5-is oxazoleacetic acid * NSC-163501 * U 42126 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. SIGMAwww.molbase.com AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage STORAGE Store at 2-8°C 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties AppearancePhysical State: Solid PropertyValueAt Temperature or Pressure pHN/A BP/BP RangeN/A MP/MP RangeN/A Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing PropertiesN/A Explosive PropertiesN/A Explosion LimitsN/A Vapor PressureN/A Partition CoefficientN/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc.N/A SIGMAwww.molbase.com Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides, Hydrogen chloride gas. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information RTECS NUMBER: NY2103000 SIGNS AND SYMPTOMS OF EXPOSURE Exposure can cause gastrointestinal disturbances, nausea, diarrhea, vomiting, myelosuppression, nightmares, hallucinations, paranoia, hematopoietic toxicity, and adverse CNS effects. In males, exposure can cause adverse effects on the reproductive system causing cessation of sperm production and degeneration of the testicles and of the seminiferous tubules. ROUTE OF EXPOSURE Multiple Routes: Harmful if swallowed, inhaled, or absorbed through skin. CHRONIC EXPOSURE - MUTAGEN Mouse 250 MG/KG Intraperitoneal Micronucleus test Chicken 6 UMOL/L Cell Type: Embryo DNA inhibition 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental SIGMAwww.molbase.com regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES INDICATION OF DANGER: Xn Harmful. R-PHRASES: 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. S-PHRASES: 36 Wear suitable protective clothing. Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. SIGMAwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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![(αS,5S)-α-[(methoxycarbonyl)amino]-3-chloro-4,5-dihydro-5-isoxazoleacetic acid methylidene ester结构式](https://www.chemsrc.com/caspic/235/105834-88-6.png)
![(αS,5S)-α-[(methoxycarbonyl)amino]-4,5-dihydro-5-isoxazoleacetic acid methylidene ester结构式](https://www.chemsrc.com/caspic/311/105834-86-4.png)
