LLY-507 | CAS#1793053-37-8 | SMYD2 inhibitor

LLY-507
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407330

CAS#: 1793053-37-8

Description: LLY-507 is a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. SMYD2 is a lysine methyltransferase that catalyzes the monomethylation of several protein substrates including p53. LLY-507 is >100-fold selective for SMYD2 over a broad range of methyltransferase and non-methyltransferase targets. LLY-507 is active in cells as measured by reduction of SMYD2-induced monomethylation of p53 Lys(370) at submicromolar concentrations. LLY-507 inhibited the proliferation of several esophageal, liver, and breast cancer cell lines in a dose-dependent manner.

Chemical Structure

LLY-507

CAS# 1793053-37-8

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407330
Name: LLY-507
CAS#: 1793053-37-8
Chemical Formula: C36H42N6O
Exact Mass: 574.34
Molecular Weight: 574.773
Elemental Analysis: C, 75.23; H, 7.37; N, 14.62; O, 2.78

Price and Availability

Size	Price	Availability	Quantity
25mg	USD 250
50mg	USD 450
100mg	USD 850
200mg	USD 1450
500mg	USD 2450
1g	USD 3450
2g	USD 5250
5g	USD 11450
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: LLY-507; LLY 507; LLY507.

IUPAC/Chemical Name: 5-cyano-2'-(4-(2-(3-methyl-1H-indol-1-yl)ethyl)piperazin-1-yl)-N-(3-(pyrrolidin-1-yl)propyl)-[1,1'-biphenyl]-3-carboxamide

InChi Key: PNYRDVBFYVDJJI-UHFFFAOYSA-N

InChi Code: InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)

SMILES Code: O=C(C1=CC(C2=CC=CC=C2N3CCN(CCN4C=C(C)C5=C4C=CC=C5)CC3)=CC(C#N)=C1)NCCCN6CCCC6

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, not in water

Shelf Life: >2 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: SMYD2 is overexpressed in a significant percentage of esophageal squamous primary carcinomas, and that overexpression correlates with poor patient survival.

Product Data:

Product Data

Instruction:

View handling instruction

Biological target:	LLY-507 is a potent and selective inhibitor of protein-lysine methyltransferase SMYD2.
In vitro activity:	LLY-507 inhibited the proliferation of several esophageal, liver, and breast cancer cell lines in a dose-dependent manner. These findings suggest that LLY-507 serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes. Reference: J Biol Chem. 2015 May 29;290(22):13641-53. https://pubmed.ncbi.nlm.nih.gov/25825497/
In vivo activity:	TBD

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	22.5	39.15
	DMF	10.0	17.40
	Ethanol	23.5	40.89

Preparing Stock Solutions

The following data is based on the product molecular weight 574.77 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. Kojima M, Sone K, Oda K, Hamamoto R, Kaneko S, Oki S, Kukita A, Kawata A, Honjoh H, Kawata Y, Kashiyama T, Sato M, Taguchi A, Miyamoto Y, Tanikawa M, Tsuruga T, Nagasaka K, Wada-Hiraike O, Osuga Y, Fujii T. The histone methyltransferase SMYD2 is a novel therapeutic target for the induction of apoptosis in ovarian clear cell carcinoma cells. Oncol Lett. 2020 Nov;20(5):153. doi: 10.3892/ol.2020.12014. Epub 2020 Aug 24. PMID: 32934721; PMCID: PMC7471656. 2. Nguyen H, Allali-Hassani A, Antonysamy S, Chang S, Chen LH, Curtis C, Emtage S, Fan L, Gheyi T, Li F, Liu S, Martin JR, Mendel D, Olsen JB, Pelletier L, Shatseva T, Wu S, Zhang FF, Arrowsmith CH, Brown PJ, Campbell RM, Garcia BA, Barsyte-Lovejoy D, Mader M, Vedadi M. LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J Biol Chem. 2015 May 29;290(22):13641-53. doi: 10.1074/jbc.M114.626861. Epub 2015 Mar 30. PMID: 25825497; PMCID: PMC4447944.
In vitro protocol:	1. Kojima M, Sone K, Oda K, Hamamoto R, Kaneko S, Oki S, Kukita A, Kawata A, Honjoh H, Kawata Y, Kashiyama T, Sato M, Taguchi A, Miyamoto Y, Tanikawa M, Tsuruga T, Nagasaka K, Wada-Hiraike O, Osuga Y, Fujii T. The histone methyltransferase SMYD2 is a novel therapeutic target for the induction of apoptosis in ovarian clear cell carcinoma cells. Oncol Lett. 2020 Nov;20(5):153. doi: 10.3892/ol.2020.12014. Epub 2020 Aug 24. PMID: 32934721; PMCID: PMC7471656. 2. Nguyen H, Allali-Hassani A, Antonysamy S, Chang S, Chen LH, Curtis C, Emtage S, Fan L, Gheyi T, Li F, Liu S, Martin JR, Mendel D, Olsen JB, Pelletier L, Shatseva T, Wu S, Zhang FF, Arrowsmith CH, Brown PJ, Campbell RM, Garcia BA, Barsyte-Lovejoy D, Mader M, Vedadi M. LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J Biol Chem. 2015 May 29;290(22):13641-53. doi: 10.1074/jbc.M114.626861. Epub 2015 Mar 30. PMID: 25825497; PMCID: PMC4447944.
In vivo protocol:	TBD

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1: Olsen JB, Cao XJ, Han B, Chen LH, Horvath A, Richardson TI, Campbell RM,
Garcia BA, Nguyen H. Quantitative Profiling of the Activity of Protein Lysine
Methyltransferase SMYD2 Using SILAC-Based Proteomics. Mol Cell Proteomics. 2016
Mar;15(3):892-905. doi: 10.1074/mcp.M115.053280. Epub 2016 Jan 10. PubMed PMID:
26750096; PubMed Central PMCID: PMC4813708.

2: Nguyen H, Allali-Hassani A, Antonysamy S, Chang S, Chen LH, Curtis C, Emtage
S, Fan L, Gheyi T, Li F, Liu S, Martin JR, Mendel D, Olsen JB, Pelletier L,
Shatseva T, Wu S, Zhang FF, Arrowsmith CH, Brown PJ, Campbell RM, Garcia BA,
Barsyte-Lovejoy D, Mader M, Vedadi M. LLY-507, a Cell-active, Potent, and
Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J Biol Chem. 2015
May 29;290(22):13641-53. doi: 10.1074/jbc.M114.626861. Epub 2015 Mar 30. PubMed
PMID: 25825497; PubMed Central PMCID: PMC4447944.

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