LY3214996 - Moligand™, ≥98% , Mitogen-activated protein kinase; ERK1/ERK2 inhibitor, CAS No.1951483-29-6, Mitogen-activated protein kinase; ERK1/ERK2 inhibitor

CAS: 1951483-29-6 Cat. No.: L414043 Peso molecular: 453.56
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
A16843 | A902162 | CCG-269274 | UNII-V0Q46LFE6F | EX-A2560 | NSC803410 | NSC-803410 | TEMUTERKIB [INN] | DTXCID6024123 | 11,46,46-Trimethyl-45,46-dihydro-11-H-2-aza-4(2,5)-thieno(2,3-c)pyrrola-3(2,4)-pyrimidina-7(4)-morpholina-1(5)-pyrazolaheptaphan-44-on
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
L414043-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

123,90US$

185,90US$
Guardar 62,00 US$ (33.35%)
25mg
L414043-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

253,90US$

380,90US$
Guardar 127,00 US$ (33.34%)
50mg
L414043-50mg
3

381,90US$

572,90US$
Guardar 191,00 US$ (33.34%)
100mg
L414043-100mg
2

572,90US$

859,90US$
Guardar 287,00 US$ (33.38%)
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Information

LY3214996 LY3214996 is a selective and novel ERK1/2 inhibitor with IC50 of 5 nM for both enzymes in biochemical assays. It potently inhibits cellular phospho-RSK1 in BRAF and RAS mutant cancer cell lines.


Targets

ERK1 (Cell-free assay); ERK2 (Cell-free assay) 5 nM; 5 nM


In vitro

In an unbiased tumor cell panel sensitivity profiling for inhibition of cell proliferation, tumor cells with MAPK pathway alterations including BRAF, NRAS or KRAS mutation are generally sensitivity to LY3214996. LY3214996 possesses an optimal balance of potency (hERK1 IC50 5 nM, hERK2 IC50 5nM, pRSK IC50 0.43 µM) and solubility.


In vivo

In tumor xenograft models, LY3214996 inhibits PD biomarker phospho-p90RSK1 in tumors and the PD effects are correlated with compound exposures and anti-tumor activities. LY3214996 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 LY3214996 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. In addition, LY3214996 has anti-tumor activity in a vemurafenib-resistant A375 melanoma xenograft model due to MAPK reactivation, may have potential for treatment of melanoma patients who have failed BRAF therapies. More importantly, LY3214996 can be combined with investigational and approved agents in preclinical models, particularly KRAS mutant models. Combination treatment of LY3214996 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. LY3214996 has good PK properties (dog, AUCoral 23800 nM*hr, CL 12.1 mL/min/kg, bioavailability 75.4%), IVTI (TED50 =16 mg/kg pRSK1) and demonstrates significant in vivo efficacy in several human cancer xenograft models.

Specifications

Sinónimos
A16843 | A902162 | CCG-269274 | UNII-V0Q46LFE6F | EX-A2560 | NSC803410 | NSC-803410 | TEMUTERKIB [INN] | DTXCID6024123 | 11, 46, 46-Trimethyl-45, 46-dihydro-11-H-2-aza-4(2, 5)-thieno(2, 3-c)pyrrola-3(2, 4)-pyrimidina-7(4)-morpholina-1(5)-pyrazolaheptaphan-44-on
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
LY3214996 is a selective and novel ERK1/2 inhibitor with IC50 of 5 nM for both enzymes in biochemical assays. It potently inhibits cellular phospho-RSK1 in BRAF and RAS mutant cancer cell lines.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Mitogen-activated protein kinase; ERK1/ERK2 inhibitor
Pureza
≥98%
Propiedades del producto
ALogP2.664
hba_count5
Recuento HBD1
Enlace rotable6
Nombres e identificadores
Pubchem Sid504772950
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772950
Sonrisas canónicasCC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C
IUPAC Name6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
InChIKeyJNPRPMBJODOFEC-UHFFFAOYSA-N
INCHI1S/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)
Isómeros SMILES CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C
Peso molecular 453.56
Reaxy-Rn 29638130
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29638130&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseThiophenes
Subclass2,3,5-trisubstituted thiophenes
Intermediate Tree Nodes Not available
Direct Parent2,3,5-trisubstituted thiophenes
Alternative Parents Aminopyrimidines and derivatives  Morpholines  Tertiary carboxylic acid amides  Pyrazoles  Heteroaromatic compounds  Trialkylamines  Lactams  Amino acids and derivatives  Secondary amines  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2,3,5-trisubstituted thiophene - Aminopyrimidine - Pyrimidine - Oxazinane - Morpholine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MAPK3 Tchem MAP kinase ERK1 (4725 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeFechaArticulo
K2211319Certificate of AnalysisAug 12, 2025 L414043
K2211324Certificate of AnalysisAug 12, 2025 L414043
Propiedades químicas y físicas
SolubilidadSolubility (25°C) In vitro DMSO: 27 mg/mL (59.52 mM); Ethanol: 16 mg/mL (35.27 mM); Water: Insoluble;
DMSO (mg/ml) Solubilidad máxima27
DMSO (mM) Solubilidad máxima59.529059
Agua (mg/ml) Solubilidad máxima<1
Peso molecular453.600 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass453.195 Da
Monoisotopic Mass453.195 Da
Topological Polar Surface Area117.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity677.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Chen Xue, Zhou Xing-Yue, Lan Cai, Fu Hai-Jun, Li Zhi-Chao, Chen Meng-Yi, Wen Yong-Ping, Yu Lu, Qin Da-Lian, Wu An-Guo, Wu Jian-Ming, Zhou Xiao-Gang.  (2025)  Araloside A Induces Raf/MEK/ERK-Dependent Autophagy to Mitigate Alzheimer’s and Parkinson’s Pathology in Cellular and C. elegans Models.  MOLECULAR NEUROBIOLOGY,      [PMID:40742404] [10.1007/s12035-025-05242-4]
Calculadoras de soluciones
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