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EM127

CAT: 0804-HY-151379-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-151379-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EM127 (compound 11c) is a SMYD3 covalent inhibitor with high selectivity, high affinity (KD=13 μM) and site-specificity. EM127 effectively inhibits ERK1/2 phosphorylation and reduces transcriptional regulation of SMYD3 target genes. EM127 effectively and prolongedly impairs methyltransferase activity. EM127 can be used in cancer research, particularly in SMYD3 positive tumours[1].
CAS Number
1886879-71-5
UNSPSC
12352005
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/em127.html
Purity
99.94
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=NOC(C2CC2)=C1)NC3CCN(C(CCl)=O)CC3
Molecular Formula
C14H18ClN3O3
Molecular Weight
311.76
References & Citations
[1]Parenti M D, et al. Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3. European Journal of Medicinal Chemistry, 2022: 114683.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SMYD3

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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