Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
RIPK1 inhibitor 22b is a potent and selective inhibitor of RIPK1(Kd of 4 nM and an enzymatic IC50 of 11 nM),andexhibits excellent antimetastasis activity in the experimental B16 melanoma lung metastasis model.
In vitro activity
In the TSZ-induced HT29 cell necroptosis model, RIPK1 inhibitor 22b shows potent cell protection effect (EC50 of 2nM). RIPK1 inhibitor 22b displays considerable activity against several other kinases(Flt4, TrkA, TrkB, TrkC, Axl, HRI, Mer, and MAP4K5 with IC50s of 20, 26, 8, 7, 35, 26, 29, and 27 nM, respectively).
| Sonrisas canónicas | CCN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)OC(F)(F)F |
|---|---|
| IUPAC Name | 1-[5-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone |
| InChIKey | APPXQUDJLJXULP-UHFFFAOYSA-N |
| INCHI | 1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) |
| Isómeros SMILES | CCN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)OC(F)(F)F |
| Peso molecular | 481.47 |
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 |
| Clase | Indoles and derivatives |
| Subclass | Phenylacetylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetylindoles |
| Alternative Parents | Phenylacetamides Pyrrolo[2,3-d]pyrimidines Indoles Phenoxy compounds Phenol ethers Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trihalomethanes Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylacetylindole - Phenylacetamide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Indole - Phenoxy compound - Phenol ether - Aminopyrimidine - Imidolactam - Benzenoid - Substituted pyrrole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Trihalomethane - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylacetylindoles. These are compounds containing an indole moiety attached to phenylacetate derivative. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 | |
| Certificate of Analysis | Jan 06, 2025 | R613198 |
| Solubilidad | DMSO: 60 mg/mL (124.62 mM), Sonication is recommended;H2O: 0.1 mg/mL (insoluble) |
|---|---|
| Sensibilidad | Light sensitive;Heat sensitive |
| Peso molecular | 481.500 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 481.173 Da |
| Monoisotopic Mass | 481.173 Da |
| Topological Polar Surface Area | 86.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 755.000 |
| 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 |
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