Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Cerdulatinib (PRT-062070, PRT2070) hydrochloride is an oral active, multi-targeted tyrosine kinase inhibitor withIC50of 12 nM/6 nM/8 nM/0.5 nM and 32 nM forJAK1/JAK2/JAK3/TYK2andSyk, respectively. Also inhibits 19 other tested kinases withIC50less than 200 nM.
Targets
TYK2 (Cell-free assay); MST1 (Cell-free assay); ARK5 (Cell-free assay); MLK1 (Cell-free assay); Fms (Cell-free assay);0.5 nM; 4 nM; 4 nM; 5 nM; 5 nM
In vitro
In human whole blood from normal donors, Cerdulatinib affects BCR-mediated B-cell activation by dual inhibition of SYK and JAK. As a dual SYK/JAK inhibitor, Cerdulatinib significantly reduces cell viability in a subset of NHL cell lines, and induces apoptosis in BCR-signaling competent NHL cell lines.
In vivo
In a rat collagen-induced arthritis model, Cerdulatinib (5 mg/kg p.o.) significantly improves inflammatory infiltrate within the synovium and the integrity of the articular cartilage. In addition, Cerdulatinib also blocks BCR-induced B-cell activation and splenomegaly in mice.
Cell Research(from reference)
Cell lines:Ramos RA-1, Daudi, Toledo, SU-DHL4 and SU-DHL6 cells
Concentrations:~15 μM
Incubation Time:72 hours
| ALogP | 1.862 |
|---|---|
| hba_count | 5 |
| HBD Count | 3 |
| Rotatable Bond | 8 |
| Canonical Smiles | CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N.Cl |
|---|---|
| IUPAC Name | 4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide;hydrochloride |
| InChIKey | IYULGYKOHUAYCG-UHFFFAOYSA-N |
| INCHI | 1S/C20H27N7O3S.ClH/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14;/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25);1H |
| Isomeric SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N.Cl |
| Molecular Weight | 482 |
| Reaxy-Rn | 27631628 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27631628&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.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Pyrimidinecarboxamides Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Secondary alkylarylamines Organosulfonamides Organic sulfonamides Imidolactams Vinylogous amides Heteroaromatic compounds Sulfonyls Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Imidolactam - Sulfonyl - Vinylogous amide - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Organic oxide - Hydrochloride - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
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| DMSO(mg / mL) Max Solubility | 43 |
|---|---|
| DMSO(mM) Max Solubility | 89.21161826 |
| Water(mg / mL) Max Solubility | <1 |
| Molecular Weight | 482.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 481.166 Da |
| Monoisotopic Mass | 481.166 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 711.000 |
| 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 | 2 |
| 1. Zhihui Liao, Ning Pan, Jiale Liu, Chunyan Ma, Xue Xia, Jianju Deng, Guohui Yang, Xiaoan Li, Zhengguo Chen, Wencai Cheng, Wei Zhang, Xiaoqin Nie, Faqin Dong. (2023) Highly efficient iodide adsorption from medical radioactive wastewater by strong alkaline anion exchange fiber. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2023.111783] |
| 2. Jia Xu, Habib Khan, Li Yang. (2021) Hydrogel Paper-Based Analytical Devices: Separation-Free In Situ Assay of Small-Molecule Targets in Whole Blood. ANALYTICAL CHEMISTRY, [PMID:34709797] [10.1021/acs.analchem.1c03347] |