≥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.
PD-1/PD-L1-IN-NP19 is a PD-1/PD-L1 inhibitor, with an IC 50 of 12.5 nM for human PD-1/PD-L1 interaction. PD-1/PD-L1-IN-NP19 could activate the immune microenvironment in tumor, which may contribute to its antitumor effects
In Vitro
PD-1/PD-L1-IN-NP19 (compound NP19) (0.37-10 μM; 72 h) significantly elevates the production of IFN-γ in a dose dependent manner from T cells co-cultured with tumor cells. PD-1/PD-L1-IN-NP19 exhibits much lower activity for inhibiting mouse PD-1/PD-L1 interaction with an IC 50 in the micromolar range (>1µM), as compared to the inhibition of human PD1/PD-L1 interaction (IC 50 =12.5 nM). PD-1/PD-L1-IN-NP19 (10 µM; 48 h) displays no apparent cytotoxic effects on A549, MCF-7, and B16-F10 cells at a concentration of 10 µM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
PD-1/PD-L1-IN-NP19 (compound NP19) (25-100 mg/kg; intragastric gavage once daily for 15 d) inhibits the growth of melanoma tumors dramatically in mice . PD-1/PD-L1-IN-NP19 (25 mg/kg; i.p. daily for 14 d) demonstrates significant antitumor efficacy with a tumor growth inhibition (TGI) of 76.5% and is well tolerated in an H22 hepatoma mouse model . PD-1/PD-L1-IN-NP19 (1 mg/kg; i.v.) shows the half time (t 1/2 =1.5±0.5 h), clearance rate (CL=0.9±0.2 L/h/kg) and apparent distribution volume (Vss=2.1±0.5 L/kg) in rats . PD-1/PD-L1-IN-NP19 (10 mg/kg; p.o.) shows the oral absorption (T max =0.6±0.2 h), long half-life (t 1/2 =10.9±7.7 h) and oral bioavailability (F=5%) in rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: BALB/c mice (6-8 weeks) with B16-F10 melanoma tumors Dosage: 25, 50, 100 mg/kg Administration: Intragastric gavage once daily for 15 days Result: Inhibited the growth of melanoma tumors up to 51.1, 75 and 80.9% at dose of 25, 50, 100 mg/kg, respectively. Exhibited normal physical activity and increased body weights slightly. Animal Model: Male Sprague-Dawley rats Dosage: 1 mg/kg for i.v. and 10 mg/kg for p.o. (Pharmacokinetic Analysis) Administration: I.v. and p.o. Result: I.v.: t 1/2 =1.5 h; C max =1751 μg/L; CL=0.9 L/h/kg. P.o.: t 1/2 =10.9 h; C max =69.5 μg/L; CL=23.1 L/h/kg.
Form:Solid
IC50& Target:IC50: 12.5 nM (human PD-1/PD-L1)
| Canonical Smiles | CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C(=C3)OCC4=CC(=CC=C4)C#N)CNC(C)(C)C(=O)O)Cl |
|---|---|
| IUPAC Name | 2-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-2-methylpropanoic acid |
| InChIKey | YZPKZNFXWGTUGO-UHFFFAOYSA-N |
| INCHI | 1S/C33H31ClN2O4/c1-22-26(13-8-14-28(22)25-11-5-4-6-12-25)21-40-31-17-30(39-20-24-10-7-9-23(15-24)18-35)27(16-29(31)34)19-36-33(2,3)32(37)38/h4-17,36H,19-21H2,1-3H3,(H,37,38) |
| Isomeric SMILES | CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C(=C3)OCC4=CC(=CC=C4)C#N)CNC(C)(C)C(=O)O)Cl |
| PubChem CID | 154573771 |
| Molecular Weight | 555.06 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzonitriles Chlorobenzenes Alkyl aryl ethers Amino acids Nitriles Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzonitrile - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Amino acid - Secondary amine - Nitrile - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | Not available |
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| Solubility | DMSO : 2 mg/mL (3.60 mM; Need ultrasonic) |
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