计算溶液所需的质量、体积或浓度。
活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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I422822-1ml |
1ml |
现货 ![]() |
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别名 | 5-碘代杀结核菌素 |
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英文别名 | 5-Iodotubercidin | 24386-93-4 | 5-iodotubericidin | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL | NSC 113939 | 7-iodo-7-deazaadenosine | 7-iodotubercidin | 7-Deaza-7-iodoadenosine | CHEMBL99203 | CHEBI:40167 | (2 |
规格或纯度 | 10mM in DMSO |
英文名称 | 5-Iodotubercidin |
生化机理 | 5-Iodotubercidin (Itu) 已被证明可抑制丝裂原活化蛋白激酶(ERK2)(Ki = 525 nM)、腺苷激酶(ADK)(Ki = 30 nM)、酪蛋白激酶 1 和 2(CSNK1A1 和 CSNK2A1)、蛋白激酶 A(PKA)和胰岛素受体激酶(IC50 为 0.4-28 μM)。伊图被认为是一种通用的蛋白激酶抑制剂。抑制血小板聚集和扩散,干扰腺苷和腺嘌呤核苷酸的代谢。此外还能抑制 ERK2 等其他激酶(K i = 525 nM)。 |
储存温度 | 避光,-80℃储存 |
运输条件 | 超低温冰袋运输 |
产品介绍 |
5-Iodotubercidin(NSC 113939; 5-ITu) is a potent adenosine kinase inhibitor (IC50 = 26 nM). 5-Iodotubercidin(NSC 113939; 5-ITu) is a potent adenosine kinase inhibitor (IC50 = 26 nM). |
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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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分子类型 | 小分子 |
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IUPAC Name | (2R,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
INCHI | InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 |
InChi Key | WHSIXKUPQCKWBY-IOSLPCCCSA-N |
Canonical SMILES | C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)I |
Isomeric SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I |
PubChem CID | 97297 |
分子量 | 392.15 |
敏感性 | 对光线敏感 |
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折光率 | n20D 1.92 (Predicted) |
沸点 | 701.48° C at 760 mmHg (Predicted) |
熔点 | 216-217° C |
分子量 | 392.150 g/mol |
XLogP3 | -0.700 |
氢键供体数Hydrogen Bond Donor Count | 4 |
氢键受体数Hydrogen Bond Acceptor Count | 7 |
可旋转键计数Rotatable Bond Count | 2 |
精确质量Exact Mass | 391.998 Da |
单同位素质量Monoisotopic Mass | 391.998 Da |
拓扑极表面积Topological Polar Surface Area | 127.000 Ų |
重原子数Heavy Atom Count | 20 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 365.000 |
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 | 4 |
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 |
Concentration | 9-11(mmol/L) |
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NMR Spectrum 1H | Conforms to Structure |
1. Zeng Sen, Hou Yaqi, Zhou Yaming, Zhou Xi, Ye Shefang, Wang Miao, Ren Lei. (2022) Adsorptive removal of uremic toxins using Zr-based MOFs for potential hemodialysis membranes. JOURNAL OF MATERIALS SCIENCE, 57 (4): (2909-2923). [10.1007/s10853-021-06783-4] |
2. Peiling Wang, Xiangmei Hua, Yang Sun, Hongyu Li, Yuge Han Bryner, Richard P. Hsung, Jun Dai. (2021) Loss of haspin suppresses cancer cell proliferation by interfering with cell cycle progression at multiple stages. FASEB JOURNAL, 35 (10): (e21923). [PMID:34551143] [10.1096/fj.202100099R] |
1. Zeng Sen, Hou Yaqi, Zhou Yaming, Zhou Xi, Ye Shefang, Wang Miao, Ren Lei. (2022) Adsorptive removal of uremic toxins using Zr-based MOFs for potential hemodialysis membranes. JOURNAL OF MATERIALS SCIENCE, 57 (4): (2909-2923). [10.1007/s10853-021-06783-4] |
2. Peiling Wang, Xiangmei Hua, Yang Sun, Hongyu Li, Yuge Han Bryner, Richard P. Hsung, Jun Dai. (2021) Loss of haspin suppresses cancer cell proliferation by interfering with cell cycle progression at multiple stages. FASEB JOURNAL, 35 (10): (e21923). [PMID:34551143] [10.1096/fj.202100099R] |