≥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.
INCB086550 (PD-1/PD-L1-IN-8; example 24) is a PD-1/PD-L1 inhibitor, with an IC 50 <= 10 nM.
Form:Solid
| Sorrisos canónicos | CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CCC(C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCC(C8)O)C |
|---|---|
| IUPAC Name | (3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid |
| InChIKey | QARLNMDDSQMINK-BVRKHOPBSA-N |
| INCHI | 1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1 |
| SMILES isoméricas | CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CC[C@H](C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CC[C@H](C8)O)C |
| CAS alternativo | 2230911-59-6 |
| PubChem CID | 135146787 |
| Peso molecular | 693.79 |
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 |
| Classe | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Pyrrolidine carboxylic acids Hydroxypyridines Hydroxy fatty acids Aralkylamines Amino fatty acids 2-halopyridines N-alkylpyrrolidines Imidolactams Benzene and substituted derivatives Secondary ketimines Oxazolines Oxazoles Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Secondary alcohols Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - 2-halopyridine - Hydroxypyridine - Aralkylamine - Hydroxy fatty acid - Amino fatty acid - Fatty acyl - Imidolactam - Benzenoid - N-alkylpyrrolidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Pyrrolidine - Oxazoline - Oxazole - Azole - 1,3-aminoalcohol - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketimine - Amino acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Solubilidade | H2O : 83.33 mg/mL (120.11 mM; ultrasonic and adjust pH to 3 with HCl) |
|---|---|
| Peso molecular | 693.800 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 9 |
| Exact Mass | 693.306 Da |
| Monoisotopic Mass | 693.306 Da |
| Topological Polar Surface Area | 152.000 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1280.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
