LY3214996
- Product Name
- LY3214996
- CAS No.
- 1951483-29-6
- Chemical Name
- LY3214996
- Synonyms
- CS-2495;LY3214996;Temuterkib;Temuterkib (LY3214996);LY-3214996 (LY3214996);Temuterkib, 10 mM in DMSO;Temuterkib (LY3214996) ，S8534;LY-3214996,LY 3214996,inhibit,Extracellular signal regulated kinases,Temuterkib,Inhibitor,ERK;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;4H-Thieno[2,3-c]pyrrol-4-one, 5,6-dihydro-6,6-dimethyl-2-[2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-5-[2-(4-morpholinyl)ethyl]-
- CBNumber
- CB53168760
- Molecular Formula
- C22H27N7O2S
- Formula Weight
- 453.56
- MOL File
- 1951483-29-6.mol
LY3214996 Property
- Boiling point:
- 711.5±70.0 °C(Predicted)
- Density
- 1.43±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- solubility
- DMSO:23.5(Max Conc. mg/mL);51.81(Max Conc. mM)
Ethanol:16.0(Max Conc. mg/mL);35.28(Max Conc. mM) - form
- A crystalline solid
- pka
- 6.58±0.10(Predicted)
- color
- White to yellow
- InChI
- 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)
- InChIKey
- JNPRPMBJODOFEC-UHFFFAOYSA-N
- SMILES
- N1(CCN2CCOCC2)C(=O)C2C=C(C3C=CN=C(NC4N(C)N=CC=4)N=3)SC=2C1(C)C
Safety
- HS Code
- 2934999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 27936
- Product name
- LY3214996
- Packaging
- 1mg
- Price
- $57
- Updated
- 2024/03/01
- Product number
- 27936
- Product name
- LY3214996
- Packaging
- 25mg
- Price
- $1026
- Updated
- 2024/03/01
- Product number
- 27936
- Product name
- LY3214996
- Packaging
- 5mg
- Price
- $233
- Updated
- 2024/03/01
- Product number
- 27936
- Product name
- LY3214996
- Packaging
- 10mg
- Price
- $437
- Updated
- 2024/03/01
- Product number
- CS-6974
- Product name
- LY3214996
- Purity
- 99.54%
- Packaging
- 1mg
- Price
- $80
- Updated
- 2021/12/16
LY3214996 Chemical Properties,Usage,Production
Description
LY3214996 is an inhibitor of ERK1 and ERK2 (IC50 = 5 nM for both). It inhibits cell proliferation of tumor cells in vitro, including those expressing B-RAF, N-Ras, or K-Ras mutations. LY3214996 inhibits tumor growth in B-RAF or N-Ras mutant melanoma, B-RAF or K-Ras mutant colorectal, lung, and pancreatic cancer mouse xenograft models, as well as patient-derived xenograft (PDX) mouse models.
Uses
Temuterkib (LY3214996) is a highly selective inhibitor of ERK1 and ERK2, with IC50 of 5 nM for both enzymes in biochemical assays. Temuterkib potently inhibits cellular p-RSK1 in BRAF and RAS mutant cancer cell lines. Temuterkib shows potent antitumor activities in cancer models with MAPK pathway alterations.
in vivo
In tumor xenograft models, Temuterkib inhibits PD biomarker phospho-p90RSK1 in tumors and the PD effects are correlated with compound exposures and anti-tumor activities. Temuterkib shows either similar or superior anti-tumor activity as compared to other published ERK inhibitors in BRAF or RAS mutant cell lines and xenograft models. Oral administration of single-agent Temuterkib significantly inhibits tumor growth in vivo and is well tolerated in BRAF or NRAS mutant melanoma, BRAF or KRAS mutant colorectal, lung and pancreatic cancer xenografts or PDX models. Therefore, Temuterkib can be tailored for treatment of cancers with MAPK pathway alteration. In addition, Temuterkib has anti-tumor activity in a PLX4032-resistant A375 melanoma xenograft model due to MAPK reactivation, may have potential for treatment of melanoma patients who have failed BRAF therapies. More importantly, Temuterkib can be combined with investigational and approved agents in preclinical models, particularly KRAS mutant models. Combination treatment of Temuterkib and CDK4/6 inhibitor abemaciclib is well tolerated and results in potent tumor growth inhibition or regression in multiple in vivo cancer models, including KRAS mutant colorectal and non-small cell lung cancers[1].
IC 50
ERK1: 5 nM (IC50); ERK2: 5 nM (IC50)
References
[1] Shripad V. Bhagwat, et al. Abstract 4973: Discovery of LY3214996, a selective and novel ERK1/2 inhibitor with potent antitumor activities in cancer models with MAPK pathway alterations. Cancer Research. July 2017.
LY3214996 Preparation Products And Raw materials
Raw materials
Preparation Products
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