≥99% 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.
RIP2 kinase inhibitor 2 is a receptor interacting protein-2 ( RIP2 ) kinase inhibitor extracted from patent WO/2014043437 A1, compound example 9.
In Vitro
RIP2 kinase inhibitor 2 is a novel prodrug of a quinazolyl amine that inhibits RIP2 kinase. Receptor interacting protein-2 (RIP2) kinase is a TKL family serine/threonine protein kinase involved in innate immune signaling. Following activation, RIP2 kinase associates with NODI or NOD2 and appears to function principally as a molecular scaffold to bring together other kinases (TAK1, ΙΚΚα/β/γ) involved in NF-κΒ and mitogen-activated protein kinase activation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:RIP2 Kinase
| Sonrisas canónicas | CC1=C(NN=C1NC2=C3C=C(C(=CC3=NC=C2)OCCOC)S(=O)(=O)C(C)(C)C)C |
|---|---|
| IUPAC Name | 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-(2-methoxyethoxy)quinolin-4-amine |
| InChIKey | QODPGRHWJBWTJC-UHFFFAOYSA-N |
| INCHI | 1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25) |
| Isómeros SMILES | CC1=C(NN=C1NC2=C3C=C(C(=CC3=NC=C2)OCCOC)S(=O)(=O)C(C)(C)C)C |
| PubChem CID | 73426595 |
| Peso molecular | 432.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminoquinolines and derivatives |
| Alternative Parents | Phenol ethers Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Sulfones Pyrazoles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminoquinoline - Phenol ether - Alkyl aryl ether - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrazole - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilidad | DMSO : 5 mg/mL (11.56 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 432.500 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 432.183 Da |
| Monoisotopic Mass | 432.183 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 663.000 |
| 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 |
