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Chemical structure of MSC1094308

GC60257

MSC1094308

Also known as 4,4-bis(4-fluorophenyl)-N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]butan-1-amine

MSC1094308 is a non-competitive and reversible VPS4B/p97 (VCP) (I/II type AAA ATPase) allosteric inhibitor, with IC50 values of 0·71 μM and 7·2 μM for VPS4B and p97, respectively· MSC1094308 inhibits the D2 ATPase activity by binding to a drugable hotspot of p97· MSC1094308 can be used in study of cancer

ChemicalCAS2219320-08-6MW462.55FormulaC29H29F3N2
CAS number
2219320-08-6
Molecular weight
462.55
Formula
C29H29F3N2
InChIKey
OCZIMUMAPGQEBH-UHFFFAOYSA-N
Catalogue number
GC60257
Brand
GLPBIO
Computed properties PubChem CID 139035043 · XLogP 7 · TPSA 27.8 Ų · H-bond donors 2
XLogP
7
TPSA
27.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
34

SMILES C1CC2=C(CC1CNCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=C(N2)C=CC(=C5)F

Computed descriptors from PubChem (CID 139035043), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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