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EN106

CAT: 0931-T60096-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60096-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
757192-67-9
Target
Others, ROS, E1/E2/E3 Enzyme, NF-κB
Related Pathways
Ubiquitination, Immunology/Inflammation, Others, NF-κB
Purity
0.9987
Bioactivity
EN106, a potent FEM1B inhibitor and a cysteine-reactive covalent ligand, effectively disrupts the recognition of FEM1B's crucial reductive stress substrate, FNIP1.
Smiles
ClCC(=O)N(CCC#N)c1ccc2OCCOc2c1
Molecular Formula
C13H13ClN2O3
Molecular Weight
280.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-chloro-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS Number757192-67-9
PubChem CID5100616
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Molecular FormulaC13H13ClN2O3
Molecular Weight280.70
XLogP1.3
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity368
SMILES
C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CCl
InChI
InChI=1S/C13H13ClN2O3/c14-9-13(17)16(5-1-4-15)10-2-3-11-12(8-10)19-7-6-18-11/h2-3,8H,1,5-7,9H2
InChIKey
GLDJSVHDOXCYPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS: 757192-67-9
CID: 5100616
Formula: C13H13ClN2O3
MW: 280.70
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.70
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass280.0614700
Monoisotopic Mass280.0614700
Topological Polar Surface Area62.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity368
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
MBS3617080-01EN106

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