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SML2326

Sigma-Aldrich

MSC1094308

≥98% (HPLC)

Synonym(s):

N-((6-Fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)-4,4-bis(4-fluorophenyl)butan-1-amine, N-[4,4-Bis(4-fluorophenyl)butyl]-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-methanamine

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About This Item

Empirical Formula (Hill Notation):
C29H29F3N2
CAS Number:
2219320-08-6
Molecular Weight:
462.55
UNSPSC Code:
12352200

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

FC1=CC=C(C(C2=CC=C(F)C=C2)CCCNCC3CCC(NC4=C5C=C(F)C=C4)=C5C3)C=C1

InChI key

OCZIMUMAPGQEBH-UHFFFAOYSA-N

Biochem/physiol Actions

MSC1094308 binding to drugable hotspot of p97 has the ability to block the D2 ATPase activity.
MSC1094308 is a reversible, non-ATP-competitive, type I AAA ATPase VPS4B-selective allosteric inhibitor (IC50 = 0.71 μM) with =10-fold reduced potency toward the type II AAA ATPase VCP/p97 and NSF (IC50 = 7.2 and >40 μM, respectively). MSC1094308 specifically inhibits p97-mediated Ub-GFP degradation without affecting proteasome-dependent ODD-luc degradation using a dual reporter HeLa cell line (10 μM) and exhibits comparable efficacy as DBeQ against 50 ng/mL TNFα-induced IκBα degradation in HeLa cells (10 μM).
Reversible, non-ATP-competitive, AAA ATPase VPS4B & VCP/p97 allosteric inhibitor against cellular p97, but not proteasome, substrates degradation.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000134143
0000134142
0000059051
0000059052
0000052826

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Robert Pöhler et al.
Angewandte Chemie (International ed. in English), 57(6), 1576-1580 (2017-12-23)
AAA ATPases have pivotal functions in diverse cellular processes essential for survival and proliferation. Revealing strategies for chemical inhibition of this class of enzymes is therefore of great interest for the development of novel chemotherapies or chemical tools. Here, we
A Non-Competitive Inhibitor of VCP/p97 and VPS4 Reveals Conserved Allosteric Circuits in Type I and II AAA ATPases
Pohler R, et al.
Angewandte Chemie (International Edition in English), 57(6), 1576-1580 (2018)

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