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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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.
| ALogP | 6.4 |
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| Pubchem Sid | 504771586 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771586 |
| Canonical Smiles | CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl |
| IUPAC 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 |
| InChIKey | VERWOWGGCGHDQE-UHFFFAOYSA-N |
| 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) |
| 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 |
| Molecular Weight | 558.14 |
| Reaxy-Rn | 18383989 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18383989&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 03, 2026 | L127618 | |
| Certificate of Analysis | Apr 03, 2026 | L127618 | |
| Certificate of Analysis | Apr 03, 2026 | L127618 | |
| Certificate of Analysis | Apr 03, 2026 | L127618 | |
| Certificate of Analysis | Apr 03, 2026 | L127618 | |
| Certificate of Analysis | Sep 19, 2023 | L127618 | |
| Certificate of Analysis | Sep 19, 2023 | L127618 | |
| Certificate of Analysis | May 10, 2023 | L127618 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 2.79, Max Conc. mM: 5 with gentle warming; Solvent:ethanol, Max Conc. mg/mL: 2.79, Max Conc. mM: 5 with gentle warming |
|---|---|
| Molecular Weight | 558.100 g/mol |
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 557.223 Da |
| Monoisotopic Mass | 557.223 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 835.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. 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] |
| 2. 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] |
| 3. Bolin Yue, Tingli Wang, Mengke Zhang, Xiaoyu Wu, Xu Xu, Zequan Li, Bohan Ye, Lei Liu, Shiyong Song. (2025) Vitamin-Integrated PROTAC Nanoparticle for Combined Therapy of NSCLC. LANGMUIR, [PMID:40810553] [10.1021/acs.langmuir.5c01856] |
| 4. Hang Yin, Xiaoyu Wang, Zhe Wang, Zhen Wang, Xin Lv, Lili Jiang, Jun Cao, Yong Liu. (2026) Inhibition of Four Anaplastic Lymphoma Kinase Inhibitors on the Activity of Human UDP-Glucuronosyltransferases and Prediction of Drug–Drug Interactions. CHEMICAL RESEARCH IN TOXICOLOGY, [PMID:41755788] [10.1021/acs.chemrestox.6c00032] |
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