LH1307 , CAS No.2375720-38-8

CAS: 2375720-38-8 Cat. No.: L1434732 PubChem CID: 138753643

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

LH1307 is a C2-symmetric inhibitor of PD-1/PD-L1 protein-protein interactions with a IC 50 value of 3.0 μM and can be used in cancer studies.

Specifications

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC=CC(=C3C)COC4=CC(=C(C=C4C)CNCCNC(=O)C)OCC5=CC(=CN=C5)C#N)C)OCC6=CC(=CN=C6)C#N)CNCCNC(=O)C
• IUPAC Name: N-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methylphenyl]methylamino]ethyl]acetamide
• InChIKey: RNCINFJGGSQEHN-UHFFFAOYSA-N
• INCHI: 1S/C54H58N8O6/c1-35-17-47(29-57-13-15-61-39(5)63)53(65-31-43-19-41(23-55)25-59-27-43)21-51(35)67-33-45-9-7-11-49(37(45)3)50-12-8-10-46(38(50)4)34-68-52-22-54(66-32-44-20-42(24-56)26-60-28-44)48(18-36(52)2)30-58-14-16-62-40(6)64/h7-12,17-22,25-28,57-58H,13-16,29-34H2,1-6H3,(H,61,63)(H,62,64)
• Isomeric SMILES: CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC=CC(=C3C)COC4=CC(=C(C=C4C)CNCCNC(=O)C)OCC5=CC(=CN=C5)C#N)C)OCC6=CC(=CN=C6)C#N)CNCCNC(=O)C
• PubChem CID: 138753643

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines 3-pyridinecarbonitriles Toluenes Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Amino acids and derivatives Nitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - 3-pyridinecarbonitrile - Phenylmethylamine - Phenol ether - Benzylamine - Aralkylamine - Toluene - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y