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| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| L127618-5mg |
5mg |
现货 ![]() |
| |
| L127618-25mg |
25mg |
现货 ![]() |
| |
| L127618-100mg |
100mg |
现货 ![]() |
| |
| L127618-250mg |
250mg |
现货 ![]() |
| |
| L127618-1g |
1g |
现货 ![]() |
|
| 别名 | 色瑞替尼 |
|---|---|
| 英文别名 | K418KG2GET | 5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine | 5-chloro-N(2)-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N(4)-[2-(propane-2-sulfonyl)phenyl]pyrimidin |
| 规格或纯度 | Moligand™, ≥99% |
| 英文名称 | LDK378 |
| 生化机理 | 高度有效的间变性淋巴瘤激酶(ALK)抑制剂(IC50 = 0.2 nM)。还显示出对胰岛素受体(IR),胰岛素样生长因子受体1(IGF1R),丝氨酸/苏氨酸蛋白激酶STK22D和FLT3的有效抑制作用(IC50值分别为7、8、23和60 nM)。在Karpas299和H2228大鼠异种移植模型中抑制肿瘤生长。 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | NPM/ALK(Nucleophosmin/ALK 酪氨酸激酶受体) |
| 产品介绍 |
LDK378是一种有效的ALK抑制剂,IC50为0.2 nM,作用于IGF-1R和InsR,选择性分别为40和35倍。 LDK378 is potent inhibitor against ALK with IC50 of 0.2 nM, shows 40- and 35-fold selectivity against IGF-1R and InsR, respectively. application: 5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine, is a Anaplastic lymphoma kinase (ALK) inhibitor. |
| 纯度 | ≥99% |
| ALogP | 6.4 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| PubChem SID | 504771586 |
|---|---|
| 分子类型 | 小分子 |
| IIUPAC Name | 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine |
| INCHI | 1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) |
| InChi Key | VERWOWGGCGHDQE-UHFFFAOYSA-N |
| Smiles | CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl |
| Isomeric SMILES | CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl |
| 分子量 | 558.14 |
| Reaxy-Rn | 18383989 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18383989&ln= |
| 溶解性 | 溶于DMSO, 最高浓度 (mg/mL): 2.79, 最高浓度(mM): 5 温和加热;溶于ethanol, 最高浓度 (mg/mL): 2.79, 最高浓度(mM): 5 温和加热 |
|---|---|
| 分子量 | 558.100 g/mol |
| XLogP3 | 6.400 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 9 |
| 精确质量Exact Mass | 557.223 Da |
| 单同位素质量Monoisotopic Mass | 557.223 Da |
| 拓扑极表面积Topological Polar Surface Area | 114.000 Ų |
| 重原子数Heavy Atom Count | 38 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 835.000 |
| 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 | 0 |
| 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 |
| 1. Marsilje TH, Pei W, Chen B, Lu W, Uno T, Jin Y, Jiang T, Kim S, Li N, Warmuth M et al.. (2013) Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase 2 clinical trials.. J Med Chem, 56 (14): (5675-90). [PMID:23742252] |
| 2. Shaw AT, Kim DW, Mehra R, Tan DS, Felip E, Chow LQ, Camidge DR, Vansteenkiste J, Sharma S, De Pas T et al.. (2014) Ceritinib in ALK-rearranged non-small-cell lung cancer.. N Engl J Med, 370 (13): (1189-97). [PMID:24670165] |
| 3. Thomas RK. (2014) Overcoming drug resistance in ALK-rearranged lung cancer.. N Engl J Med, 370 (13): (1250-1). [PMID:24670172] |
| 4. Friboulet L, Li N, Katayama R, Lee CC, Gainor JF, Crystal AS, Michellys PY, Awad MM, Yanagitani N, Kim S et al.. (2014) The ALK inhibitor ceritinib overcomes crizotinib resistance in non-small cell lung cancer.. Cancer Discov, 4 (6): (662-673). [PMID:24675041] |
| 5. Zhao-Yang Wang, Hai-Long Wu, Yue-Yue Chang, Tong Wang, Wei Chen, Gao-Yan Tong, Ru-Qin Yu. (2021) Simultaneous determination of nine tyrosine kinase inhibitors in three complex biological matrices by using high-performance liquid chromatography–diode array detection combined with a second-order calibration method. JOURNAL OF SEPARATION SCIENCE, 44 (21): (3914-3923). [PMID:34463059] [10.1002/jssc.202100293] |
| 6. Gao Ningning, Zhong Jingjing, Wang Xiaodong, Jin Zhenchao, Li Wang, Liu Yu, Diao Yuwen, Wang Zhulin, Jiang Wenqi, Jin Guangyi. (2016) Immunomodulatory and Antitumor Effects of a Novel TLR7 Agonist Combined with Lapatinib. Scientific Reports, 6 (1): (1-9). [PMID:28000738] [10.1038/srep39598] |