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MP-1

CAT: 0931-T71901-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71901-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2035018-15-4
Target
Others
Related Pathways
Others
Bioactivity
MP-1 is a covalent inhibitor of fumarate hydratase (FH) that exhibits cytotoxicity dependent on FH. MP-1 engages a functional cysteine in the Zn-finger domain of the tRNA methyltransferase enzyme TRMT1.
Smiles
CC(O)C1=CC=C(CCNC(=O)\C=C\C2=CC=CO2)S1
Molecular Formula
C15H17NO3S
Molecular Weight
291.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-3-(furan-2-yl)-N-(2-(5-(1-hydroxyethyl)thiophen-2-yl)ethyl)acrylamide
CAS Number2035018-15-4
PubChem CID91817562
IUPAC Name(E)-3-(furan-2-yl)-N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]prop-2-enamide
Molecular FormulaC15H17NO3S
Molecular Weight291.4
XLogP1.9
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity348
SMILES
CC(C1=CC=C(S1)CCNC(=O)/C=C/C2=CC=CO2)O
InChI
InChI=1S/C15H17NO3S/c1-11(17)14-6-5-13(20-14)8-9-16-15(18)7-4-12-3-2-10-19-12/h2-7,10-11,17H,8-9H2,1H3,(H,16,18)/b7-4+
InChIKey
YZXWIWRFQLQZMF-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(furan-2-yl)-N-(2-(5-(1-hydroxyethyl)thiophen-2-yl)ethyl)acrylamide
CAS: 2035018-15-4
CID: 91817562
Formula: C15H17NO3S
MW: 291.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass291.09291458
Monoisotopic Mass291.09291458
Topological Polar Surface Area90.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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