163042-96-4

• 常用中文名：氯-IB-MECA
• 常用英文名：2-CL-IB-MECA
• CAS号：163042-96-4
• 分子式：C₁₈H₁₈ClIN₆O₄
• 分子量：544.731
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 腺苷受体
• 发布时间：2018-12-02 23:00:25
• 更新时间：2024-01-08 18:14:59
• Namodenoson (CF-102) 是一个选择性的 A3 adenosine 受体的激动剂,选择性分别是A1,A2的2500到1400倍。

名称

• 中文名: 1-[2-氯-6-[[(3-碘苯基)甲基]氨基]-9h-嘌呤-9-基]-1-脱氧-N-甲基-beta-d-呋喃核糖酰胺
• 英文名: (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
• 英文别名: CF102; CI-IB-MECA; 2-Cl-IB-Meca; Cl-IB-MECA; Namodenoson; 2-chloro-IB-MECA; (2S,3S,4R,5R)-5-{2-Chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide (non-preferred name); UNII:Z07JR07J6C; CF-102; CF-102(2-Cl-IB-MECA)

物化性质

• 密度: 2.0±0.1 g/cm3
• 熔点: 209 °C
• 分子式: C₁₈H₁₈ClIN₆O₄
• 分子量: 544.731
• 精确质量: 544.012268
• PSA: 134.42000
• LogP: 3.14
• 外观性状: 固体;White to Almost white powder to crystal
• 折射率: 1.814
• 储存条件: 0-10°C;避免加热

生物活性

• 描述: Namodenoson (CF-102) 是一个选择性的 A3 adenosine 受体的激动剂,选择性分别是A1,A2的2500到1400倍。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 腺苷受体
  研究领域 >> 癌症
• 靶点:

  Ki:0.33 nM (A3 adenosine receptor)[1][2].

• 体外研究: 在星形胶质细胞谱系的人ADF细胞中,100nMNModenodenoson(2-Cl-IB-MECA)引起细胞骨架的显着重组,具有应力纤维和许多细胞突起的外观。高浓度的Namodenoson(2-Cl-IB-MECA)直接引起Ca2 +的流入[2]。
• 体内研究: 静脉内施用200μg/ kg Namodenoson(2-Cl-IB-MECA)导致短暂的低血压,伴随着血浆组胺浓度增加50-100倍。施用第二剂量的Namodenoson(2-Cl-IB-MECA)未引起任何血液动力学效应[1]。
• 参考文献:

  [1]. Van Schaick EA et al. Hemodynamic effects and histamine release elicited by the selective adenosine A3 receptor agonist 2-Cl-IB-MECA in conscious rats. Eur J Pharmacol. 1996 Jul 25;308(3):311-4.

  [2]. Jacobson KA et al. Adenosine A3 receptors: novel ligands and paradoxical effects. Trends Pharmacol Sci. 1998 May;19(5):184-91.

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Chloro-IB-MECA CAS-No.: 163042-96-4 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Skin irritation (Category 2) Eye irritation (Category 2) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Irritating to eyes, respiratory system and skin. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordWarning Hazard statement(s) H315Causes skin irritation. H319Causes serious eye irritation. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements Safety data sheet available on request. According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R36/37/38Irritating to eyes, respiratory system and skin. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36Wear suitable protective clothing. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Synonyms: Cl-IB-MECA 2-Chloro-N6-(3-iodobenzyl)-adenosine-5′-N-methyluronamide Formula: C18H18ClIN6O4 Molecular Weight: 544,73 g/mol ComponentConcentration Chloro-IB-MECA CAS-No.163042-96-4- Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of any immediate medical attention and special treatment needed no data available Section5. 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), Hydrogen chloride gas, Hydrogen iodide Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Safety glasses with side-shields conforming to EN166 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. Body Protection impervious clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: solid Colour: white b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 207 - 208 °C point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. 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 sensitization 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 Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Causes respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. Causes skin irritation. EyesCauses serious eye irritation. Signs and Symptoms of Exposure To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. 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 no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. Section14. 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: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment no data available Section16. OTHER INFORMATION Further information Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use only. 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. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

安全

• 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
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2934999090

合成路线

163042-90-8 ~70% 163042-96-4

文献：Kim; Ji; Siddiqi; Olah; Stiles; Jacobson Journal of Medicinal Chemistry, 1994 , vol. 37, # 21 p. 3614 - 3621

3718-88-5 ~% 163042-96-4

文献：Journal of Medicinal Chemistry, , vol. 37, # 21 p. 3614 - 3621

5451-40-1 ~% 163042-96-4

文献：Journal of Medicinal Chemistry, , vol. 37, # 21 p. 3614 - 3621

120046-86-8 ~% 163042-96-4

文献：Journal of Medicinal Chemistry, , vol. 37, # 21 p. 3614 - 3621

163042-95-3 ~% 163042-96-4

文献：Journal of Medicinal Chemistry, , vol. 37, # 21 p. 3614 - 3621

152918-18-8 ~% 163042-96-4

文献：US2005/256143 A1, ; Page/Page column Sheet 1 of 3 ;

上下游产品

上游产品  4
3718-88-5 5451-40-1 120046-86-8 152918-18-8
下游产品  0

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%