计算溶液所需的质量、体积或浓度。
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A126552-100mg |
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别名 | 阿巴卡韦 | 阿巴卡维 | (1S,4R)-4-[2-氨基-6-(环丙氨基)-9H-嘌呤-9-基]-2-环戊烯-1-甲醇 |
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英文别名 | ((1s,4r)-4-(2-amino-6-(cyclopropylamino)-9h-purin-9-yl)cyclopent-2-enyl)methanol | Avacavir | Epitope ID:137341 | MFCD00903850 | AVACAVIR [VANDF] | MCGSCOLBFJQGHM-SCZZXKLOSA-N | A807079 | AB01566826_01 | WR2TIP26VS | NSC 742406 | SMR004701251 | (+/-)-cis- |
规格或纯度 | Moligand™, ≥98% |
英文名称 | Abacavir |
生化机理 | 阿巴卡韦进入细胞后会转化为含三磷酸盐的鸟嘌呤类似物卡巴韦(CBV),有利于产生更高的双链断裂(DSB)。硫酸阿巴卡韦是一种核苷类似物逆转录酶抑制剂(NRTI);鸟苷类似物,用于治疗艾滋病毒和艾滋病。 |
应用 | Abacavir sulfate has been used as a compound to validate the P19C5 gastrulation in mouse. It has also been used to induces chromosomal double-strand breaks (DSBs) and kills adult T cell leukemia (ATL) cells. Abacavir sulfate has been used in the cytotoxicity to test its tumour promoting activity U937 cells. |
储存温度 | -20°C储存 |
运输条件 | 超低温冰袋运输 |
产品介绍 |
Abacavir是强力的核苷类似物,为逆转录酶抑制剂。Abacavir exhibits antiviral activity. It is associated with myocardial infarction and fatal hypersensitivity reaction (HSR).Abacavir sulfate has been used as a compound to validate the P19C5 gastrulation in mouse. It has also been used to induces chromosomal double-strand breaks (DSBs) and kills adult T cell leukemia (ATL) cells. Abacavir sulfate has been used in the cytotoxicity to test its tumour promoting activity U937 cells. Abacavir is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. Abacavir exhibits antiviral activity. It is associated with myocardial infarction and fatal hypersensitivity reaction (HSR). |
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作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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PubChem SID | 488189775 |
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分子类型 | 小分子 |
IUPAC Name | [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol |
INCHI | InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1 |
InChi Key | MCGSCOLBFJQGHM-SCZZXKLOSA-N |
Canonical SMILES | C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO |
Isomeric SMILES | C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO |
PubChem CID | 441300 |
分子量 | 286.33 |
溶解性 | 25°C: DMSO <1 mg/mL; Water 36 mg/mL; Ethanol<1mg/mL |
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比旋光度 | -54° (C=0.15,MeOH) |
熔点 | 161 °C(dec.) |
分子量 | 286.330 g/mol |
XLogP3 | 0.900 |
氢键供体数Hydrogen Bond Donor Count | 3 |
氢键受体数Hydrogen Bond Acceptor Count | 6 |
可旋转键计数Rotatable Bond Count | 4 |
精确质量Exact Mass | 286.154 Da |
单同位素质量Monoisotopic Mass | 286.154 Da |
拓扑极表面积Topological Polar Surface Area | 102.000 Ų |
重原子数Heavy Atom Count | 21 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 414.000 |
同位素原子数Isotope Atom Count | 0 |
定义的原子立体中心计数Defined Atom Stereocenter Count | 2 |
未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
所有立体化学键的总数The total count of all stereochemical bonds | 0 |
共价键合单元计数Covalently-Bonded Unit Count | 1 |
象形图 | GHS08, GHS07 |
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信号词 | Warning |
危险声明 |
H319: 引起严重眼睛刺激 H341: 怀疑引起遗传缺陷 H351: 怀疑引起遗传缺陷 H302: 吞食有害 H361: 怀疑破坏生育力或未出生的孩子 |
预防措施声明 |
P305+P351+P338: 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P281: 根据需要使用个人防护设备。 P270: 使用本产品时,请勿进食、饮水或吸烟。 P330: 漱口 P203: 使用前,获取、阅读并遵守所有安全说明。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P317: 如果被吞咽:请寻求医疗帮助。 P318: 如果暴露或担心,请就医。 P337+P317: 如果眼睛刺激持续:寻求医疗帮助。 |
Merck Index | 1 |
Specific Rotation [a]20/D(c=0.15 in MeOH) | -56--53(°) |
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Purity(HPLC) | 98-100(%) |
NMR spectrum | Conforms to Structure |
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分析证书 | 22-06-17 | A126552 |
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1. Wang Bin, Chen Yanfen, Wu Yuanya, Weng Bo, Liu Yingshuai, Li Chang Ming. (2016) Synthesis of nitrogen- and iron-containing carbon dots, and their application to colorimetric and fluorometric determination of dopamine. MICROCHIMICA ACTA, 183 (9): (2491-2500). [10.1007/s00604-016-1885-5] |
1. Daluge SM, Good SS, Faletto MB, Miller WH, St Clair MH, Boone LR, Tisdale M, Parry NR, Reardon JE, Dornsife RE et al.. (1997) 1592U89, a novel carbocyclic nucleoside analog with potent, selective anti-human immunodeficiency virus activity.. Antimicrob Agents Chemother, 41 (5): (1082-93). [PMID:9145874] [10.1021/op500134e] |
2. Wang Bin, Chen Yanfen, Wu Yuanya, Weng Bo, Liu Yingshuai, Li Chang Ming. (2016) Synthesis of nitrogen- and iron-containing carbon dots, and their application to colorimetric and fluorometric determination of dopamine. MICROCHIMICA ACTA, 183 (9): (2491-2500). [10.1007/s00604-016-1885-5] |