LH1306 | CAS# 2182653-84-3 | Inhibitor

MedKoo Cat#: 574029 | Name: LH1306

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

LH1306 is an inhibitor of the interaction between programmed cell death 1 (PD-1) and its ligand PD-L1. It increases the activation of Jurkat cells expressing PD-1 in co-culture with U2OS or CHO cells expressing PD-L1.

Chemical Structure

LH1306

CAS#2182653-84-3

Theoretical Analysis

MedKoo Cat#: 574029

Name: LH1306

CAS#: 2182653-84-3

Chemical Formula: C38H48N6O6

Exact Mass: 684.3635

Molecular Weight: 684.84

Elemental Analysis: C, 66.65; H, 7.07; N, 12.27; O, 14.02

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 450.00	2 Weeks
25mg	USD 1,250.00	2 Weeks

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Related CAS #

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Synonym

LH1306, LH 1306, LH-1306

IUPAC/Chemical Name

N,N′-[(2,2′-dimethyl[1,1′-biphenyl]-3,3′-diyl)bis[methyleneoxy(6-methoxy-2,5-pyridinediyl)methyleneimino-2,1-ethanediyl]]bis-acetamide

InChi Key

ZNRITEYTYHQVTF-UHFFFAOYSA-N

InChi Code

InChI=1S/C38H48N6O6/c1-25-31(23-49-35-15-13-29(37(43-35)47-5)21-39-17-19-41-27(3)45)9-7-11-33(25)34-12-8-10-32(26(34)2)24-50-36-16-14-30(38(44-36)48-6)22-40-18-20-42-28(4)46/h7-16,39-40H,17-24H2,1-6H3,(H,41,45)(H,42,46)

SMILES Code

CC1=C(COC2=CC=C(CNCCNC(C)=O)C(OC)=N2)C=CC=C1C3=C(C)C(COC4=NC(OC)=C(CNCCNC(C)=O)C=C4)=CC=C3

Appearance

Solid powder

Purity

>95% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

LH1306 is a novel potent inhibitor of the programmed cell death-1/programmed death-ligand 1 (PD-1/PD-L1) protein-protein interaction.

In vitro activity:

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. Reference: J Med Chem. 2019 Aug 8;62(15):7250-7263. https://pubmed.ncbi.nlm.nih.gov/31298541/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	1.0	1.46
	DMSO	0.3	0.37

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 684.84 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Basu S, Yang J, Xu B, Magiera-Mularz K, Skalniak L, Musielak B, Kholodovych V, Holak TA, Hu L. 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. Epub 2019 Jul 25. PMID: 31298541.

In vitro protocol:

In vivo protocol:

TBD

1. Basu, S., Yang, J., Xu, B., 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. 62(15), 7250-7263 (2019).