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EN6

CAT: 0931-T11191-08Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T11191-08Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1808714-73-9
Target
Proton pump, Autophagy
Related Pathways
Autophagy, Membrane transporter/Ion channel
Purity
0.9704
Bioactivity
EN6-mediated ATP6V1A modification decouples the v-ATPase from the Rags, leading to inhibition of mTORC1 signaling, increased lysosomal acidification and activation of autophagy. EN6 clears TDP-43 aggregates, a causative agent in frontotemporal dementia, in a lysosome-dependent manner. EN6 is a small-molecule in vivo activator of autophagy that covalently targets cysteine 277 in the ATP6V1A subunit of the lysosomal the vacuolar H+ ATPase (v-ATPase) .
Smiles
Fc1ccc(NC(=O)c2cnn(c2)-c2ccccc2F)cc1NC(=O)C=C
Molecular Formula
C19H14F2N4O2
Molecular Weight
368.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CAS Number1808714-73-9
PubChem CID99640033
IUPAC Name1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
Molecular FormulaC19H14F2N4O2
Molecular Weight368.3
XLogP2.7
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity562
SMILES
C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F
InChI
InChI=1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)
InChIKey
SUSXQEYPNDORDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CAS: 1808714-73-9
CID: 99640033
Formula: C19H14F2N4O2
MW: 368.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.3
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass368.10848203
Monoisotopic Mass368.10848203
Topological Polar Surface Area76 Ų
Heavy Atom Count27
Formal Charge0
Complexity562
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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