ChemicalBook--->CAS DataBase List--->2375720-38-8

2375720-38-8

2375720-38-8 Structure

2375720-38-8 Structure
IdentificationBack Directory
[Name]

LH1307
[CAS]

2375720-38-8
[Synonyms]

LH1307
[Molecular Formula]

C54H58N8O6
[MOL File]

2375720-38-8.mol
[Molecular Weight]

915.09
Chemical PropertiesBack Directory
[Boiling point ]

1072.4±65.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF:25.0(Max Conc. mg/mL);27.32(Max Conc. mM)
DMSO:25.0(Max Conc. mg/mL);27.32(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);0.33(Max Conc. mM)
Ethanol:10.0(Max Conc. mg/mL);10.93(Max Conc. mM)
[form ]

A crystalline solid
[pka]

15.82±0.46(Predicted)
[color ]

white to beige
[InChIKey]

RNCINFJGGSQEHN-UHFFFAOYSA-N
[SMILES]

N#CC1=CC(COC2=C(C=C(C(OCC3=C(C(C4=CC=CC(COC5=CC(OCC6=CN=CC(C#N)=C6)=C(C=C5C)CNCCNC(C)=O)=C4C)=CC=C3)C)=C2)C)CNCCNC(C)=O)=CN=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

LH1307 is an inhibitor of the interaction between programmed cell death 1 (PD-1) and its ligand PD-L1.
[Uses]

LH1307 is a C2-symmetric inhibitor of PD-1/PD-L1 protein-protein interactions with a IC50 value of 3.0 μM and can be used in cancer studies[1].
[in vitro]

C2-symmetric inhibitors 2a (LH1306) and 2b (LH1307) exhibited IC50 values of 25 and 3.0 nM, respectively, in the HTRF assay. In one cell-based coculture PD-1 signaling assay, 2a and 2b were 8.2- and 2.8-fold more potent in inhibiting PD-1 signaling than 1a and 1b, respectively._x000D_ _x000D_ Reference: J Med Chem. 2019 Aug 8;62(15):7250-7263. https://pubmed.ncbi.nlm.nih.gov/31298541/
[target]

LH1307 is an inhibitor of the interaction between programmed cell death 1 (PD-1) and its ligand PD-L1.
[storage]

Store at -20°C
[References]

[1] Basu S, et al. Design, Synthesis, Evaluation, and Structural Studies of C2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J Med Chem. 2019 Aug 8;62(15):7250-7263. DOI:10.1021/acs.jmedchem.9b00795
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