MedKoo Cat#: 471041 | Name: LH1307
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Description:

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

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

Chemical Structure

LH1307
LH1307
CAS#2375720-38-8

Theoretical Analysis

MedKoo Cat#: 471041

Name: LH1307

CAS#: 2375720-38-8

Chemical Formula: C54H58N8O6

Exact Mass: 914.4479

Molecular Weight: 915.11

Elemental Analysis: C, 70.88; H, 6.39; N, 12.25; O, 10.49

Price and Availability

Size Price Availability Quantity
5mg USD 520.00
25mg USD 1,350.00 2 Weeks
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Related CAS #
No Data
Synonym
LH1307, LH 1307, LH-1307
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
InChi Key
RNCINFJGGSQEHN-UHFFFAOYSA-N
InChi Code
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)
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
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
Certificate of Analysis
Safety Data Sheet (SDS)
Biological target:
LH1307 is an inhibitor of the interaction between programmed cell death 1 (PD-1) and its ligand PD-L1.
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 comments
Solubility
DMF 25.0 27.32
DMSO 25.0 27.32
DMSO:PBS (pH 7.2) (1:2) 0.3 0.33
Ethanol 10.0 10.93
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 915.11 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.

Recalculate based on batch purity %
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:
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 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