LY-3214996 (Temuterkib) | CAS#1951483-29-6 | ERK1/2 inhibitor

LY-3214996
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 206821

CAS#: 1951483-29-6 (free base)

Description: LY-3214996, also known as Temuterkib, is a potent and selective, orally available inhibitor of extracellular signal-regulated kinase (ERK) 1 and 2, with potential antineoplastic activity. Upon oral administration, LY3214996 inhibits both ERK 1 and 2, thereby preventing the activation of mitogen-activated protein kinase (MAPK)/ERK-mediated signal transduction pathways. This results in the inhibition of ERK-dependent tumor cell proliferation and survival.

Chemical Structure

LY-3214996

CAS# 1951483-29-6 (free base)

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 206821
Name: LY-3214996
CAS#: 1951483-29-6 (free base)
Chemical Formula: C22H27N7O2S
Exact Mass: 453.19
Molecular Weight: 453.565
Elemental Analysis: C, 58.26; H, 6.00; N, 21.62; O, 7.05; S, 7.07

Price and Availability

Size	Price	Availability
5mg	USD 150	Ready to ship
10mg	USD 250	Ready to ship
25mg	USD 550	Ready to ship
50mg	USD 950	Ready to ship
100mg	USD 1650	Ready to ship
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: LY-3214996; LY 3214996; LY 3214996; Temuterkib

IUPAC/Chemical Name: 6,6-dimethyl-2-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-5-(2-morpholinoethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one

InChi Key: JNPRPMBJODOFEC-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)

SMILES Code: CC(N(CCN1CCOCC1)C2=O)(C)C3=C2C=C(S3)C4=CC=NC(NC5=CC=NN5C)=N4

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: >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: The MAPK/ERK pathway is often upregulated in a variety of tumor cell types and plays a key role in tumor cell proliferation, differentiation and survival.

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot#C9R05B27

QC Data:

View QC data: current batch, Lot#C9R05B27

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:	LY3214996 is an inhibitor of ERK1 and ERK2 with IC50s of 5 nM for both enzymes in biochemical assays.
In vitro activity:	To determine the effect of LY3214996 on cell-cycle regulation, KRAS-mutant HCT116 cells were treated with increasing concentrations of LY3214996 for 24, 48, and 72 hours and subjected to cell-cycle analysis by flow cytometry. LY3214996 arrested cells in the G1 phase of the cell cycle and induced apoptosis in a dose- and time-dependent manner as demonstrated by an increasing percentage of cells in the sub-G1 phase at 24, 48, and 72 hours after treatment (Fig. 2A and B; Supplementary Fig. S1). Reference: Mol Cancer Ther. 2020 Feb;19(2):325-336. https://mct.aacrjournals.org/content/19/2/325.long
In vivo activity:	The in vivo efficacy of LY3214996 was assessed in subcutaneous xenograft models derived from several colorectal cancer (KRAS-mutant HCT116, BRAF-mutant Colo205, and MEK1-mutant SW48), melanoma (NRAS-mutant SK-MEL-30), pancreatic cancer (KRAS-mutant MiaPaCa-2), and NSCLC (KRAS-mutant Calu6) models as representative examples of RAS/ERK pathway alterations. LY3214996 treatment resulted in significant tumor regression of HCT116 (31%), Colo205 (76%), MiaPaCa-2 (66%), and Calu-6 (54%) xenograft tumors in mice (Fig. 5A, B, E, and F; Supplementary Table S3). Reference: Mol Cancer Ther. 2020 Feb;19(2):325-336. https://mct.aacrjournals.org/content/19/2/325.long

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	23.5	51.81
	Ethanol	16.0	35.28

Preparing Stock Solutions

The following data is based on the product molecular weight 453.57 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. Bhagwat SV, McMillen WT, Cai S, Zhao B, Whitesell M, Shen W, Kindler L, Flack RS, Wu W, Anderson B, Zhai Y, Yuan XJ, Pogue M, Van Horn RD, Rao X, McCann D, Dropsey AJ, Manro J, Walgren J, Yuen E, Rodriguez MJ, Plowman GD, Tiu RV, Joseph S, Peng SB. ERK Inhibitor LY3214996 Targets ERK Pathway-Driven Cancers: A Therapeutic Approach Toward Precision Medicine. Mol Cancer Ther. 2020 Feb;19(2):325-336. doi: 10.1158/1535-7163.MCT-19-0183. Epub 2019 Nov 19. PMID: 31744895.
In vitro protocol:	1. Bhagwat SV, McMillen WT, Cai S, Zhao B, Whitesell M, Shen W, Kindler L, Flack RS, Wu W, Anderson B, Zhai Y, Yuan XJ, Pogue M, Van Horn RD, Rao X, McCann D, Dropsey AJ, Manro J, Walgren J, Yuen E, Rodriguez MJ, Plowman GD, Tiu RV, Joseph S, Peng SB. ERK Inhibitor LY3214996 Targets ERK Pathway-Driven Cancers: A Therapeutic Approach Toward Precision Medicine. Mol Cancer Ther. 2020 Feb;19(2):325-336. doi: 10.1158/1535-7163.MCT-19-0183. Epub 2019 Nov 19. PMID: 31744895.
In vivo protocol:	1. Bhagwat SV, McMillen WT, Cai S, Zhao B, Whitesell M, Shen W, Kindler L, Flack RS, Wu W, Anderson B, Zhai Y, Yuan XJ, Pogue M, Van Horn RD, Rao X, McCann D, Dropsey AJ, Manro J, Walgren J, Yuen E, Rodriguez MJ, Plowman GD, Tiu RV, Joseph S, Peng SB. ERK Inhibitor LY3214996 Targets ERK Pathway-Driven Cancers: A Therapeutic Approach Toward Precision Medicine. Mol Cancer Ther. 2020 Feb;19(2):325-336. doi: 10.1158/1535-7163.MCT-19-0183. Epub 2019 Nov 19. PMID: 31744895.

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1: Wang M, Zhang L, Liu Z, Zhou J, Pan Q, Fan J, Zang R, Wang L. AGO1 may influence the prognosis of hepatocellular carcinoma through TGF-β pathway. Cell Death Dis. 2018 Feb 27;9(3):324. doi: 10.1038/s41419-018-0338-y. PubMed PMID: 29487329; PubMed Central PMCID: PMC5832432.

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