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硫唑嘌呤 | 446-86-6

硫唑嘌呤
Azathioprine
446-86-6
C9H7N7O2S
277.2626
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:硫唑嘌呤结构式
87559964
硫唑嘌呤价格
简介
Azathioprine (BW 57-322) 是一种具有口服活性的免疫抑制剂 (immunosuppressive agent)。硫唑嘌呤在体内可以转化为活性代谢物 6-巯基嘌呤( 6-MP ),具有骨髓抑制作用,可诱导细胞凋亡 (apoptosis)。
名称和标识符
MDL MFCD00069203
InChIKey LMEKQMALGUDUQG-UHFFFAOYSA-N
Inchi 1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
SMILES S(C1C2=C(N=C([H])N=1)N=C([H])N2[H])C1=C([N+](=O)[O-])N=C([H])N1C([H])([H])[H]
别名信息
- 中文别名 -
  • 硫唑嘌呤
  • 依木兰
  • 依米兰
  • 6-[(1-甲基-4-硝基-1H-咪唑-5-基)硫代]-1H-嘌呤
  • 硫唑嘌呤 GMP
  • Azathioprine 硫唑嘌呤
  • 硫唑嘌呤 USP标准品
  • 硫唑嘌呤 标准品
  • 硫唑嘌呤标准品(JP)
  • 咪唑硫嘌呤
  • 咪唑硫嘌呤 EP标准品
  • 6-(1-甲基-4-硝基咪唑-5-基)硫代嘌呤
  • 6-(1-甲基-4-硝基咪唑-5-硫基)嘌呤
  • 6-[(1-METHYL-4-1H-NITROIMIDAZOL-5-YL)THIO]PURINE 咪唑硫嘌呤
  • 6-[(1-甲基-4-1H-咪唑基-5)-硫代]-1H-嘌呤
  • 氮杂硫代嘌呤
  • 依木兰,IMURAN
  • 达卡他韦杂质
- 英文别名 -
  • 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purine
  • azathioprine crystalline
  • 6-(1-methyl-4-nitroimidazol-5-ylthio)purine
  • azathioprine
  • 6-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-1h-purine
  • 6-((1-methyl-4-nitroimidazol-5-yl)thio)purine
  • 6-(methyl-p-nitro-5-imidazolyl)-thiopurine
  • Azathiopurine
  • 6-(1-METHYL-4-NITROIMIDAZOL-5-YL)THIOPURINE
  • 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
  • BW 57-322
  • 6-(1-methyl-4-nitro-imidazol-5-ylthio)purine
  • Azamun
  • Azanin
  • Azathioprin
  • azatihoprine
  • Azatioprin
  • Azothioprine
  • Ccucol
  • Imuran
  • Imurek
  • Imurel
  • Muran
  • Azasan
  • Azamun [Czech]
  • Azatioprina [INN-Spanish]
  • Azathioprinum [INN-Latin]
  • Imuran (TN)
  • 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine
  • 6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine
  • Methylnitroimidazolylmercaptopurine
  • C9H7N7O2S
  • 6-((1-Methyl-4-nitro-1H-i
  • 6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine
  • 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine
  • 6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine
  • 6-(Methyl-p-nitro-5-imidazolyl)-thiopurine
  • Azathioprine
  • FT-0602904
  • cMAP_000046
  • Thiopurine 6-(1-methyl-4-nitroimidazol-5-yl)
  • AZATHIOPRINE (EP IMPURITY)
  • AZATHIOPRINE [EP MONOGRAPH]
  • SW198560-2
  • BPBio1_000054
  • 1H-Purine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
  • MRK240IY2L
  • AB00443544_12
  • Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-
  • Jayempi
  • NSC-39084
  • AZATHIOPRINE [INN]
  • AZATHIOPRINE [USP MONOGRAPH]
  • BSPBio_000048
  • 1H-PURINE, 6-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)
  • SPECTRUM1500133
  • 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine #
  • UNII-MRK240IY2L
  • NCGC00015060-29
  • AI-981/34845012
  • AZATHIOPRINE [ORANGE BOOK]
  • NCGC00015060-05
  • NCGC00090836-02
  • Z57063156
  • NCGC00090836-01
  • Prestwick1_000094
  • CHEMBL1542
  • AB00443544-03
  • A826664
  • 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-7H-purine
  • SBI-0050016.P003
  • KBioSS_000464
  • Azathioprine 100 microg/mL in Acetonitrile
  • Tox21_110074_1
  • AZATHIOPRINE [MI]
  • 6-(1-Methyl-4-nitromidazol-5-ylthio)purine
  • NCGC00015060-18
  • AZATHIOPRINE (EP MONOGRAPH)
  • 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
  • NSC 39084
  • BW 57322
  • HY-B0256
  • KBio2_000464
  • Azathioprine, >=98%
  • NSC-755900
  • CCG-39877
  • BSPBio_001876
  • BDBM50373919
  • Azathioprine (Azasan, Imuran)
  • Azathioprinum (INN-Latin)
  • s1721
  • 6-(1-methyl-4-nitro-1H-imidazol-5-ylthio)-9H-purine
  • HMS3655M04
  • NCGC00015060-16
  • D70170
  • 6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine
  • Azothioprin
  • Azathioprine (USAN:USP:INN:BAN:JAN)
  • HMS501N08
  • CCG-220094
  • 6-[(1-Methyl-4-nitroimidazol-5-yl)thio]purine
  • Q18939
  • KS-1146
  • NCGC00090836-03
  • NCGC00015060-07
  • AZATHIOPRINE [IARC]
  • NCGC00015060-13
  • Purine, 6-((1-methyl-4-nitroimidazol-5-yl)thio)-
  • SR-01000075537-4
  • Azasan (TN)
  • DivK1c_000586
  • FT-0662375
  • Prestwick3_000094
  • NS00004945
  • HMS2802J03
  • AKOS005609209
  • SDCCGSBI-0050016.P005
  • SMR000427366
  • 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purine
  • Pharmakon1600-01500133
  • AB00443544
  • AZATHIOPRINE [EP IMPURITY]
  • 6-(1-methyl-4-nitro-5-imidazolyl)mercaptopurine
  • NCGC00015060-06
  • Azathiopurine,(S)
  • SR-01000762955
  • Tox21_400024
  • SPBio_001987
  • NCGC00015060-03
  • MFCD00069203
  • Tox21_500027
  • NCGC00090836-04
  • 6-(1'-Methyl-4'-nitro-5'-imidazolyl)mercaptopurine
  • 9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
  • AZATHIOPRINE [WHO-IP]
  • B. W. 57-322
  • SDCCGMLS-0065415.P001
  • Zytrim
  • NCGC00094593-01
  • Lopac0_000027
  • SCHEMBL4278
  • KBio2_002427
  • NCGC00090836-05
  • AZATHIOPRINE (MART.)
  • 6-(1-Methyl-4-nitro-5-imidazolythio)-9H-pur-ine
  • 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin
  • AZATHIOPRINE [WHO-DD]
  • 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-7H-purine
  • BCP09492
  • KBioGR_002427
  • IDI1_000586
  • NINDS_000586
  • HMS3712C10
  • CCRIS 62
  • AZATHIOPRINE (USP MONOGRAPH)
  • Spectrum2_000068
  • BA166065
  • HMS3259P03
  • HMS594I19
  • KBio2_004995
  • D00238
  • 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine
  • Spectrum_000064
  • 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine
  • 6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine
  • 6-(Methyl-p-nitro-5-imidazolyl)thiopurine
  • HMS1920E17
  • CCG-16168
  • 446-86-6
  • KBio2_007563
  • NCGC00015060-02
  • WLN: T56 BM DN FN HNJ IS- ET5N CNJ A1 DNW
  • NCGC00015060-10
  • Azathioprine, Pharmaceutical Secondary Standard
  • Certified Reference Material
  • AZATHIOPRINE [MART.]
  • KBioGR_000646
  • Azathioprinum
  • Spectrum3_000308
  • KBioSS_002433
  • NCGC00090836-06
  • NSC755900
  • NCGC00015060-01
  • Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-
  • DTXSID4020119
  • Tox21_110074
  • HSDB 7084
  • AZATHIOPRINE [VANDF]
  • [Methyl(nitroimidazolyl)mercaptopurine]
  • NCGC00015060-19
  • Azatioprina (INN-Spanish)
  • AB00443544-11
  • AZATHIOPRINE (IARC)
  • AZATHIOPRINE [USAN]
  • ChemDiv1_002659
  • AZATHIOPRINUM [WHO-IP LATIN]
  • Lopac-A-4638
  • EN300-118702
  • 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine
  • Oprea1_633462
  • AZATHIOPRINE [USP-RS]
  • BRD-K32821942-001-10-6
  • Prestwick2_000094
  • azanine
  • 6-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine
  • DTXCID00119
  • 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin [Czech]
  • MLS001049307
  • HMS2091K19
  • NC00614
  • HMS1568C10
  • Spectrum5_000848
  • BRD-K60324116-001-01-5
  • Prestwick_41
  • CBDivE_013132
  • NCGC00094593-03
  • Oprea1_533384
  • Azathioprine, meets USP testing specifications
  • Azathioprine, United States Pharmacopeia (USP) Reference Standard
  • NCGC00260712-01
  • BRD-K32821942-001-05-6
  • CHEBI:2948
  • Azatioprina
  • Spectrum4_000243
  • A 4638
  • 6-((1-METHYL-4-NITROIMIDAZOL-5-YL)THIO)PURINE6-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-1H-PURINE
  • Azoran
  • NCGC00015060-08
  • NCGC00015060-12
  • AZATHIOPRINE [JAN]
  • 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9H-purine
  • KBio1_000586
  • GTPL7120
  • HMS3260E15
  • Prestwick0_000094
  • NCGC00015060-15
  • 1H-PURINE, 6-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO-
  • AKOS028108935
  • AZATHIOPRINE [HSDB]
  • BW-57-322
  • EU-0100027
  • Azathioprine [USAN:USP:INN:BAN:JAN]
  • NCGC00094593-02
  • NCI-C03474
  • Rorasul
  • C06837
  • AC-4230
  • NCGC00015060-14
  • 6-((1-methyl-4-nitro-1h-imidazol-5-yl)thio)-1h-purin
  • SPBio_000255
  • SR-01000075537-1
  • AI3-50290
  • LP00027
  • NCGC00015060-04
  • HMS2095C10
  • 6-(1-Methyl-4-nitroimidazol-5-ylthio)purine
  • EINECS 207-175-4
  • KBio2_005600
  • Azathioprine, European Pharmacopoeia (EP) Reference Standard
  • DB00993
  • L04AX01
  • KBio3_002906
  • Azathioprine (JP17/USP/INN)
  • Azamune
  • SR-01000762955-2
  • SR-01000075537
  • KBio3_001376
  • CAS-446-86-6
  • AZATHIOPRINE (USP-RS)
  • 6-((1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl)-7H-purine
  • KBio2_003032
  • AB00443544_13
  • NCGC00015060-09
  • NCGC00015060-11
  • 6-(1-Methyl-4-nitro-1H-imidazol-5-ylthio)purine
  • 6-(1-Methyl-p-nitro-5-imidazolyl)thiopurine
  • 6-1'-Methyl,5'-imidazolyl mercaptopurine
  • Oprea1_375441
  • NSC39084
物化性质
实验特性
LogP 1.66900
PSA 143.40000
Merck 902
折射率 1.7400 (estimate)
水溶性 <0.1 g/100 mL at 23 ºC
沸点 555.8°C at 760 mmHg
熔点 244°C(dec.)(lit.)
闪点 685.7 °C at 760 mmHg
溶解度 Soluble in Dichloromethane and dimethyl sulfoxide.
颜色与性状 Powder
稳定性 Stable. Incompatible with strong oxidizing agents, strong bases.
溶解性 在乙醇中极微溶解,在水中几乎不溶;在稀氨溶液中易溶。
酸度系数(pKa) 8.2(at 25℃)
密度 1.5379 (rough estimate)
计算特性
精确分子量 277.03800
氢键供体数量 1
氢键受体数量 7
可旋转化学键数量 2
同位素质量 277.038
重原子数量 19
复杂度 354
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.1
互变异构体数量 4
表面电荷 0
拓扑分子极性表面积 143
国际标准相关数据
EINECS 62
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

相关文献
专业数据库参考
PubChemId 87559964
参考资料
Reaxys RN 1225351
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