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MedKoo Cat#: 206821 | Name: LY-3214996
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Description:

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

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
LY-3214996
CAS#1951483-29-6 (free base)

Theoretical Analysis

MedKoo Cat#: 206821

Name: LY-3214996

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

Chemical Formula: C22H27N7O2S

Exact Mass: 453.1947

Molecular Weight: 453.57

Elemental Analysis: C, 58.26; H, 6.00; N, 21.62; O, 7.05; S, 7.07

Price and Availability

Size Price Availability Quantity
5mg USD 150.00 Ready to ship
10mg USD 250.00 Ready to ship
25mg USD 550.00 Ready to ship
50mg USD 950.00 Ready to ship
100mg USD 1,650.00 Ready to ship
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Related CAS #
1951483-29-6 (free base) 2365171-00-0 (mesylate)
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.
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
Solvent mg/mL mM
Solubility
DMSO 23.5 51.81
Ethanol 16.0 35.28
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 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.

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. 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.
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.