LH1307 HCl | CAS#2375720-38-8

MedKoo Cat#: 533266 | Name: LH1307 HCl

Description:

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

LH1307 is a novel potent inhibitor of the programmed cell death-1/programmed death-ligand 1 (PD-1/PD-L1) protein-protein interaction.

Chemical Structure

LH1307 HCl

CAS#LH1307 HCl

Theoretical Analysis

MedKoo Cat#: 533266

Name: LH1307 HCl

CAS#: LH1307 HCl

Chemical Formula: C54H60Cl2N8O6

Exact Mass: 914.4479

Molecular Weight: 988.02

Elemental Analysis: C, 65.65; H, 6.12; Cl, 7.18; N, 11.34; O, 9.72

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

2375720-38-8 (free base) LH1307 HCl

Synonym

LH1307; LH-1307 LH 1307; LH1307 HCl; LH1307 hydrochloride; LH1307 dihydrochloride

IUPAC/Chemical Name

N,N'-(((((((2,2'-Dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(methylene))bis(oxy))bis(2-((5-cyanopyridin-3-yl)methoxy)-5-methyl-4,1-phenylene))bis(methylene))bis(azanediyl))bis(ethane-2,1-diyl))diacetamide, dihydrochloride

InChi Key

KCNOBKHGQWCDGY-UHFFFAOYSA-N

InChi Code

InChI=1S/C54H58N8O6.2ClH/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);2*1H

SMILES Code

CC1=C(COC2=C(C)C=C(CNCCNC(C)=O)C(OCC3=CC(C#N)=CN=C3)=C2)C=CC=C1C4=CC=CC(COC5=C(C)C=C(CNCCNC(C)=O)C(OCC6=CC(C#N)=CN=C6)=C5)=C4C.[H]Cl.[H]Cl

Appearance

Solid powder

Purity

>98% (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:

LH1307 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

Preparing Stock Solutions

The following data is based on the product molecular weight 988.02 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