Products for Research Use Only

EM127

CAT: 1410-M35471-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M35471-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EM127 is a highly selective and potent covalent inhibitor of SMYD3 with a KD value of 13 μM.EM127 inhibits ERK1/2 phosphorylation and inhibits transcriptional regulation of SMYD3 target genes.EM127 slowly reduces methyltransferase activity over a long period of time.EM127 has potential anticancer activity and can be used to study SMYD3 positive tumors. EM127 has potential anticancer activity and can be used to study SMYD3 positive tumors.
CAS Number
1886879-71-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
311.76
Molecular Formula
C14H18ClN3O3
Notes
Research use only, not for human use.
Receptor
Histone Methyltransferase | ERK

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...
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