ChemicalBook--->CAS DataBase List--->2219320-08-6

2219320-08-6

2219320-08-6 Structure

2219320-08-6 Structure
IdentificationBack Directory
[Name]

MSC1094308
[CAS]

2219320-08-6
[Synonyms]

MSC1094308
4,4-Bis(4-fluorophenyl)-N-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]-1-butanamine
[Molecular Formula]

C29H29F3N2
[MDL Number]

MFCD31814427
[MOL File]

2219320-08-6.mol
[Molecular Weight]

462.55
Chemical PropertiesBack Directory
[Boiling point ]

610.4±55.0 °C(Predicted)
[density ]

1.211±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

DMSO: 2mg/mL, clear
[form ]

Solid
[pka]

16.91±0.40(Predicted)
[color ]

Off-white to pink
[InChIKey]

OCZIMUMAPGQEBH-UHFFFAOYSA-N
[SMILES]

FC1=CC=C(C(C2=CC=C(F)C=C2)CCCNCC3CCC(NC4=C5C=C(F)C=C4)=C5C3)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

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[1]. MSC1094308 inhibits the D2 ATPase activity by binding to a agentable hotspot of p97. MSC1094308 can be used in study of cancer[1].
[Biological Activity]

MSC1094308 binding to drugable hotspot of p97 has the ability to block the D2 ATPase activity.''MSC1094308 is a reversiblenon-ATP-competitivetype 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 μMrespectively). 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 IKBα degradation in HeLa cells (10 μM).
[References]

[1] P?hler R, et al. A Non-Competitive Inhibitor of VCP/p97 and VPS4 Reveals Conserved Allosteric Circuits in Type I and II AAA ATPases. Angew Chem Int Ed Engl. 2018 Feb 5;57(6):1576-1580. DOI:10.1002/anie.201711429
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