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| 中文名 | beta-丙酸胍 |
|---|---|
| 英文名 | 3-guanidinopropanoic acid |
| 中文别名 | 胍基丙酸 |
| 英文别名 |
EINECS 206-530-0
β-Alanine, N-(aminoiminomethyl)- 3-(diaminomethylideneamino)propanoic acid n-carbamimidoyl-|A-alanine beta-Guanidinopropionic acid 3-Guanidinopropanoate 3-carbamimidamidopropanoic acid N-Carbamimidoyl-β-alanine N-(Aminomethyl)-β-alanine MFCD00045939 Guanidinopropionic acid 3-Guanidinopropionic Acid β-Guanidinopropionic acid b-Guanidinopropionate 3-Guanidinopropanoic acid 3-guanidinepropionic acid |
| 描述 | RGX-202是一种口服小分子SLC6A8转运体抑制剂。RGX-202在体外和体内强烈抑制肌酸输入,降低细胞内磷酸肌酸和ATP水平,并诱导肿瘤细胞凋亡。RGX-202可用于癌症研究[1]。 |
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| 相关类别 | |
| 靶点 |
Human Endogenous Metabolite |
| 体外研究 | RGX-202(10μM；96小时)可减少细胞生长,并显示出磷酸肌酸几乎完全耗尽(>99%),细胞内肌酸减少超过79%,细胞内ATP水平相对于缺氧时的对照细胞显著降低(46%)[1]。 |
| 体内研究 | RGX-202(800 mg/kg；p.o.35天)降低B6129SF1/J小鼠的UN-KPC-961胰腺肿瘤肌酸水平[1]。RGX-202(约650 mg/kg；连续14天每天腹腔注射)治疗可将NOD-SCID小鼠的Lvm3b细胞肝转移定植减少八倍[1]。动物模型：UN-KPC-961胰腺肿瘤B6129SF1/J小鼠[1]剂量：800 mg/kg给药：p.o.持续35天结果：在800 mg/kg剂量下,肿瘤d3肌酸进口抑制50%。动物模型：6至9周龄C57BL/6J雄性野生型小鼠[1]剂量：100、250、500 mg/KG无菌0.9%氯化钠给药：p.o.持续35天结果：在500 mg/KG剂量下,以剂量依赖性方式抑制组织对d3肌酸的摄取高达75%。 |
| 参考文献 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 299.1±42.0 °C at 760 mmHg |
| 熔点 | 222 °C (dec.)(lit.) |
| 分子式 | C4H9N3O2 |
| 分子量 | 131.133 |
| 闪点 | 134.7±27.9 °C |
| 精确质量 | 131.069473 |
| PSA | 99.20000 |
| LogP | -1.68 |
| 外观性状 | 白色结晶粉末 |
| 蒸汽压 | 0.0±1.3 mmHg at 25°C |
| 折射率 | 1.575 |
| 储存条件 | −20°C |
| 分子结构 | 1、 摩尔折射率：29.56 2、 摩尔体积（m3/mol）：89.5 3、 等张比容（90.2K）：254.1 4、 表面张力（dyne/cm）：65.0 5、 极化率（10 -24cm 3）：11.71 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-1.8 2.氢键供体数量:3 3.氢键受体数量:3 4.可旋转化学键数量:3 5.互变异构体数量:2 6.拓扑分子极性表面积102 7.重原子数量:9 8.表面电荷:0 9.复杂度:128 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:1 |
| 更多 | 一、物性数据 性状：不可用 密度（g/mL,25/4℃）：不可用 相对蒸汽密度（g/mL,空气=1）：不可用 熔点（ºC）：222 沸点（ºC,常压）：不可用 沸点（ºC,5.2kPa）：不可用 折射率：不可用 闪点（ºC）：不可用 比旋光度（º）：不可用 自燃点或引燃温度（ºC）：不可用 蒸气压（kPa,25ºC）：不可用 饱和蒸气压（kPa,60ºC）：不可用 燃烧热（KJ/mol）：不可用 临界温度（ºC）：不可用 临界压力（KPa）：不可用 油水（辛醇/水）分配系数的对数值：不可用 爆炸上限（%,V/V）：不可用 爆炸下限（%,V/V）：不可用 溶解性：不可用 |
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 3-Guanidinopropionic acid Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:3-Guanidinopropionic acid CAS number:353-09-3 Section4. 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. Section5. 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. Section6. 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. Section7. 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. Storage:Store in closed vessels, refrigerated. Section8. 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. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula: C4H9N3O2 Molecular weight: 131.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. 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. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. 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. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
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| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi:Irritant; |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| RTECS号 | AY3157500 |
| 海关编码 | 2925290090 |
|
~75%
353-09-3 |
| 文献：Synthesis, , # 9 p. 777 - 779 |
|
~74%
353-09-3 |
| 文献：Synthesis, , # 12 p. 1656 - 1658 |
|
~%
353-09-3 |
| 文献：Journal of Molecular Biology, , vol. 396, # 4 p. 870 - 882 |
|
~%
353-09-3 |
| 文献：Bulletin de la Societe Chimique de France, , p. 182 |
|
~%
353-09-3 |
| 文献：Zhurnal Obshchei Khimii, , vol. 18, p. 2028 Chem.Abstr., , p. 3793 |
|
~%
353-09-3 |
| 文献：Chemische Berichte, , vol. 8, p. 1263 |
|
~51%
353-09-3 |
| 文献：Tetrahedron Letters, , vol. 43, # 8 p. 1401 - 1403 |
| 海关编码 | 2925290090 |
|---|---|
| 中文概述 | 2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
