≥98% 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.
RIPK3-IN-1 is a RIPK3 type II DFG-out inhibitor with an IC 50 of 9.1 nM. RIPK3-IN-1 inhibits RIPK1 and RIPK2 with IC 50 s of 5.5 and >10 μM. RIPK3-IN-1 is also a c-Met kinase inhibitor with an IC 50 of 1.1 μM
In Vitro
RIPK3-IN-1 (Compound 18) also inhibits ABL, BRAF/V599E, MAP4K3, and SRC with IC 50 s of 0.37, 0.15, 0.012, and 0.075 μM, respectively. Necroptosis is a programmed form of cell death and has been associated with a variety of diseases, including ischemia reperfusion injury, neurodegenerative disorders, pancreatic cancer, and autoimmune diseases such as inflammatory bowel disease (IBD). Upon stimulation of death receptors (such as the family of TNF receptors), signaling can initiate a necroptotic cell death process. This involves formation of a necrosome, which includes receptor interacting protein kinases 1 and 3 (RIPK1, RIPK3) in a cytosolic complex. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 9.1 nM (RIPK3), 5.5 μM (RIPK1), >10 μM (RIPK2)
| Canonical Smiles | CC1=C(C=CC(=C1C)OC2=CC(=NC=C2)NC(=O)C3CC3)NC(=O)C4=CC=CN(C4=O)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | N-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide |
| InChIKey | PETCZXAONWLUFT-UHFFFAOYSA-N |
| INCHI | 1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35) |
| Isomeric SMILES | CC1=C(C=CC(=C1C)OC2=CC(=NC=C2)NC(=O)C3CC3)NC(=O)C4=CC=CN(C4=O)C5=CC=C(C=C5)F |
| PubChem CID | 138393291 |
| Molecular Weight | 512.53 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Nicotinamides Polyhalopyridines Phenol ethers N-arylamides Fluorobenzenes 2-halopyridines Imidolactams Fatty amides Cyclopropanecarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Lactams Ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Pyridine carboxylic acid or derivatives - Nicotinamide - Polyhalopyridine - N-arylamide - Phenol ether - 2-halopyridine - Halobenzene - Fluorobenzene - Fatty acyl - Imidolactam - Pyridine - Fatty amide - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 5 mg/mL (9.76 mM; ultrasonic and warming and heat to 80°C) |
|---|---|
| Molecular Weight | 512.500 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 512.186 Da |
| Monoisotopic Mass | 512.186 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 958.000 |
| 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 |
