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EM127

CAT: 0013-GTR19187686-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187686-05Size:100 mg
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Description
EM127 is a potent, selective covalent inhibitor of SMYD3 (KD = 13 μM) that suppresses its methyltransferase activity, ERK1/2 phosphorylation, and target gene transcription. This compound is a valuable research tool for investigating SMYD3-positive cancers in both cellular and animal models.
CAS Number
1886879-71-5
Product Name Alternative
SMYD3, ERK2, ERK1, Histone Methyltransferase, HistoneMethyltransferase
Field of Research
Epigenetics & Chromatin, Signal Transduction
Purity
97.55% (May vary between batches)
Solubility
DMSO:20 mg/mL (64.15 mM)
Smiles
ClCC (=O) N1CCC (CC1) NC (=O) c1cc (on1) C1CC1
Molecular Formula
C14H18ClN3O3
Molecular Weight
311.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[1-(2-Chloroacetyl)-4-piperidinyl]-5-cyclopropyl-3-isoxazolecarboxamide
CAS Number1886879-71-5
PubChem CID118949515
IUPAC NameN-[1-(2-chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
Molecular FormulaC14H18ClN3O3
Molecular Weight311.76
XLogP1.2
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity408
SMILES
C1CC1C2=CC(=NO2)C(=O)NC3CCN(CC3)C(=O)CCl
InChI
InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)
InChIKey
OENTXAYVUCLRJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-(2-Chloroacetyl)-4-piperidinyl]-5-cyclopropyl-3-isoxazolecarboxamide
CAS: 1886879-71-5
CID: 118949515
Formula: C14H18ClN3O3
MW: 311.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.76
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass311.1036691
Monoisotopic Mass311.1036691
Topological Polar Surface Area75.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity408
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

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CatalogName
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BA4846-25EM127
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A24374-5EM127 5mg
A24374-100EM127 100mg
A24374-50EM127 50mg

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