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Temuterkib

CAT: 0013-GTR19169156-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169156-05Size:10 mg
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Description
Temuterkib (LY3214996) is an oral, potent, and selective ERK1/2 inhibitor with antineoplastic potential. It is used in cancer research, particularly for studying MAPK pathway-driven tumors, and has demonstrated activity in both in vitro cellular assays and in vivo xenograft models.
CAS Number
1951483-29-6
Product Name Alternative
Inhibit, LY3214996, LY-3214996, LY 3214996, Inhibitor, ERK1, ERK2, ERK, Extracellular signal regulated kinases, Temuterkib
Field of Research
Signal Transduction
Purity
99.37% (May vary between batches)
Solubility
DMSO:7.36 mg/mL (16.23 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.2 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
Cn1nccc1Nc1nccc (n1) -c1cc2C (=O) N (CCN3CCOCC3) C (C) (C) c2s1
Molecular Formula
C22H27N7O2S
Molecular Weight
453.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Temuterkib

Temuterkib is an orally available inhibitor of extracellular signal-regulated kinase (ERK) 1 and 2, with potential antineoplastic activity. Upon oral administration, temuterkib 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. 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.

CAS Number1951483-29-6
PubChem CID121408882
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
Molecular FormulaC22H27N7O2S
Molecular Weight453.6
XLogP1.4
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity677
SMILES
CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C
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
Chemical Structure
2D Structure
2D structure of Temuterkib
CAS: 1951483-29-6
CID: 121408882
Formula: C22H27N7O2S
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass453.19469430
Monoisotopic Mass453.19469430
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-101494-01Temuterkib
C13475-01Temuterkib (LY3214996)
HY-101494RTemuterkib (Standard)
A16843-500Temuterkib (LY3214996) 500mg
A16843-100Temuterkib (LY3214996) 100mg
A16843-50Temuterkib (LY3214996) 50mg
A16843-10Temuterkib (LY3214996) 10mg
A16843-2Temuterkib (LY3214996) 2mg
A16843-25Temuterkib (LY3214996) 25mg
A16843-5Temuterkib (LY3214996) 5mg

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