阿加曲班(MCI-9038)

• 常用名: 阿加曲班(MCI-9038)
• 英文名: Argatroban
• CAS号: 74863-84-6
• 分子量: 508.634
• 密度: 1.5±0.1 g/cm3
• 沸点: 801.3±75.0 °C at 760 mmHg
• 分子式: C₂₃H₃₆N₆O₅S
• 熔点: 188-1890C
• 闪点: 438.4±37.1 °C

阿加曲班(MCI-9038)用途

【用途一】
抗血栓形成药。合成凝血酶抑制剂。对凝血酶有很强的选择性抑制作用。抑制由凝血酶引起的血小板聚集，对纤维蛋白酶的抑制较弱，有纤维溶解的促进作用。用于慢性动脉闭塞症。

阿加曲班(MCI-9038)名称

• 中文名: 阿加曲班
• 英文名: Argatroban anhydrous
• 中文别名: (2R,4R)-4-甲基-1-[N-[(3-甲基-1,2,3,4-四氢-8-喹啉基)磺酰]-L-精氨酰]-2-哌啶甲酸 | (2R,4R)-1-[5-[(氨基亚氨基甲基)氨基]-1-氧代-2-[[(1,2,3,4-四氢-3-甲基-8-喹啉基)磺酰基]氨基]戊基]-4-甲基-2-哌啶羧酸 | 阿各卓泮

阿加曲班(MCI-9038)生物活性

• 描述: Argatroban是凝血酶选择性抑制剂。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 凝血酶
  天然产物 >> 生物碱
  研究领域 >> 心血管疾病
• 参考文献:

  [1]. Kawada, T., et al., Argatroban, an attractive anticoagulant, for left heart bypass with centrifugal pump for repair of traumatic aortic rupture. Jpn J Thorac Cardiovasc Surg, 1999. 47(3): p. 104-9.

  [2]. Jang, I.K., et al., A multicenter, randomized study of argatroban versus heparin as adjunct to tissue plasminogen activator (TPA) in acute myocardial infarction: myocardial infarction with novastan and TPA (MINT) study. J Am Coll Cardiol, 1999. 33(7): p. 1879-85.

阿加曲班(MCI-9038)物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 801.3±75.0 °C at 760 mmHg
• 熔点: 188-1890C
• 分子式: C₂₃H₃₆N₆O₅S
• 分子量: 508.634
• 闪点: 438.4±37.1 °C
• 精确质量: 508.246796
• PSA: 186.09000
• LogP: 2.56
• InChIKey: KXNPVXPOPUZYGB-IOVMHBDKSA-N
• SMILES: CC1CNc2c(cccc2S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCC(C)CC2C(=O)O)C1
• 外观性状: 白色粉末
• 蒸汽压: 0.0±3.0 mmHg at 25°C
• 折射率: 1.674
• 储存条件: Store at +4°C
• 分子结构:

  1、 摩尔折射率：129.78

  2、 摩尔体积（cm³/mol）：345.7

  3、 等张比容（90.2K）：968.8

  4、 表面张力（dyne/cm）：61.6

  5、 极化率（10-24cm3）：51.45

• 更多:

  1.性状：从乙醇结晶

  2.熔点（ºC）：188～191

阿加曲班(MCI-9038)安全信息

• 危害码 (欧洲): Xn,N
• 风险声明 (欧洲): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
• 安全声明 (欧洲): S28-S61-S28A
• 危险品运输编码: UN 2020 6.1/PG 3
• WGK德国: 2
• RTECS号: SK2450000
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2935009090

阿加曲班(MCI-9038)制备

硝基-N-叔丁氧羰基精氨酸和4-甲基-2-吡啶羧酸乙酯反应，得到的化合物，再用3-甲基-8-喹啉磺酰氯酰化，得化合物，经水解成游离羧酸后，再在钯碳上催化氢化，得阿加曲班。

阿加曲班(MCI-9038)海关

• 海关编码: 2935009090
• 中文概述: 2935009090 其他磺（酰）胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

阿加曲班(MCI-9038)靶点实验

查看更多实验

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：pKa value of the compound 来源：ChEMBL 靶标：N/A External Id：CHEMBL639809

实验名称：Anticoagulant activity in Sprague-Dawley rat deep vein thrombosis model assessed as a... 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL1100516

实验名称：Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);... 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL4296184

实验名称：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

实验名称：Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA... 来源：ChEMBL 靶标：Escherichia coli External Id：CHEMBL4296185

实验名称：Selectivity ratio of IC50 of human trypsin relative to IC50 of human alpha thrombin 来源：ChEMBL 靶标：Serine protease 1 External Id：CHEMBL824718

实验名称：Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th... 来源：NCGC 靶标：N/A External Id：s-my-keats_OPM1-m4-1

实验名称：Quantitative High-Throughput drug screen in 47 multiple myeloma cell lines against th... 来源：NCGC 靶标：N/A External Id：s-my-OC1MY5-m4-1

实验名称：Increase the activity of the Burkholderia fixLJ 2-component system 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：Burkholderia multivorans External Id：HMS1625

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阿加曲班(MCI-9038)英文别名

• Novastan
• (2R,4R)-4-Methyl-1-{N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]arginyl}-2-piperidinecarboxylic acid
• Argatroban
• (2R,4R)-4-Methyl-1-{N-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]arginyl}piperidine-2-carboxylic acid
• (2R,4R)-1-{N-(Diaminomethylene)-N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidinecarboxylic acid
• 2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, (2R,4R)-, hydrate (1:1)
• (2R,4R)-1-{N-(diaminomethylidene)-N-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]-L-ornithyl}-4-methylpiperidine-2-carboxylic acid
• (2R,4R)-4-Methyl-1-{N-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]-L-arginyl}piperidine-2-carboxylic acid
• (2R,4R)-1-(5-Carbamimidamido-2-{[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]amino}pentanoyl)-4-methyl-2-piperidinecarboxylic acid
• MQPA
• Argipidine
• (2R,4R)-4-Methyl-1-[N2-(3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonyl)-L-arginyl]-2-piperidinecarboxylic Acid
• Slonnon
• [2R-[1(2S*),2a,4b]]-[partial]-1-[5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid
• (2R,4R)-4-Methyl-1-{N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl}-2-piperidinecarboxylic acid hydrate (1:1)
• Argatroban monohydrate
• MFCD00866789
• Argatroban anhydrous
• UNII:IY90U61Z3S
• UNII:OCY3U280Y3
• (2R,4R)-4-Methyl-1-[(S)-N2-[[(R,S)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl]sulfonyl]arginyl]pipecolic Acid