Evixapodlin

Category	Hepatitis B Virus (HBV)
CAS	2374856-75-2
Description	Evixapodlin is a human programmed cell death ligand 1 (PD-1/PD-L1) protein/protein interaction inhibitor with an IC50 of 0.213 nM. It has anticancer and antiviral functions.

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Product Information

Synonyms	(1²S,12²S)-6²,7²-dichloro-5³,8⁶-dimethoxy-3,10-diaza-5,8(2,5)-dipyrazina-1,12(2)-dipyrrolidina-6,7(1,3)-dibenzenadodecaphane-1⁵,12⁵-dione; (5S,5'S)-5,5'-((((5,5'-(2,2'-dichloro-[1,1'-biphenyl]-3,3'-diyl)bis(3-methoxypyrazine-5,2-diyl))bis(methylene))bis(azanediyl))bis(methylene))bis(pyrrolidin-2-one); 2-Pyrrolidinone, 5,5'-[(2,2'-dichloro[1,1'-biphenyl]-3,3'-diyl)bis[(3-methoxy-5,2-pyrazinediyl)methyleneiminomethylene]]bis-, (5S,5'S)-; PD-1/PD-L1-IN 7
IUPAC Name	(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
Molecular Weight	691.61
Molecular Formula	C34H36Cl2N8O4
Canonical SMILES	COC1=NC(=CN=C1CNCC2CCC(=O)N2)C3=CC=CC(=C3Cl)C4=C(C(=CC=C4)C5=CN=C(C(=N5)OC)CNCC6CCC(=O)N6)Cl
InChI	InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1
InChIKey	OIIOPWHTJZYKIL-PMACEKPBSA-N
Boiling Point	817.1±65.0°C (Predicted)
Purity	≥98%
Density	1.310±0.06 g/cm3 (Predicted)
Solubility	Soluble in DMSO
Appearance	White to Yellow Solid
Storage	Store at -20°C
Complexity	985
Exact Mass	690.2236570
In Vitro	Evixapodlin (compound 139) enhances IFN-γ and Granzyme B Production in chronic hepatitis B (CHB) CD8+ T Cells and CD4+ T Cells. Evixapodlin also enhances the frequency of GrB+ cells among HBV-specific CD8+ and CD4+ T cells. The ability of Evixapodlin to enhance the antiviral functions of HBV-specific CD8+ and CD4+ T cells in vitro is comparable to those of Durvalumab.
In Vivo	Evixapodlin (Compound 139; 10-50 mg/kg; intraperitoneal injection, daily, for 6 days) treatment shows >90% PD-L1 target occupancy (TO) on the tumor cells. Evixapodlin significantly inhibits tumor growth in a human PD-L1 expressing MC38 mouse colorectal tumor mode.
Target	IC50: 0.213 nM (Human PD-1/PD-L1 protein/protein interaction); HBV
XLogP3-AA	2.2