MSC1094308
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MedKoo CAT#: 555659

CAS#: 2219320-08-6

Description: MSC1094308 is a Non-Competitive Inhibitor of VCP/p97 and VPS4 Reveals Conserved Allosteric Circuits in Type I and II AAA ATPases. MSC1094308 binds to a previously characterized drugable hotspot of p97, thereby inhibiting the D2 ATPase activity. Our results furthermore indicate that a similar allosteric site exists in VPS4B, suggesting conserved allosteric circuits and drugable sites in both type I and II AAA ATPases. Our results may thus guide future chemical tool and drug discovery efforts for the biomedically relevant AAA ATPases.


Chemical Structure

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MSC1094308
CAS# 2219320-08-6

Theoretical Analysis

MedKoo Cat#: 555659
Name: MSC1094308
CAS#: 2219320-08-6
Chemical Formula: C29H29F3N2
Exact Mass: 462.2283
Molecular Weight: 462.5602
Elemental Analysis: C, 75.30; H, 6.32; F, 12.32; N, 6.06

Price and Availability

Size Price Availability Quantity
5.0mg USD 325.0 2 Weeks
25.0mg USD 850.0 2 Weeks
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Synonym: MSC1094308; MSC-1094308; MSC 1094308;

IUPAC/Chemical Name: N-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)-4,4-bis(4-fluorophenyl)butan-1-amine

InChi Key: OCZIMUMAPGQEBH-UHFFFAOYSA-N

InChi Code: InChI=1S/C29H29F3N2/c30-22-8-4-20(5-9-22)25(21-6-10-23(31)11-7-21)2-1-15-33-18-19-3-13-28-26(16-19)27-17-24(32)12-14-29(27)34-28/h4-12,14,17,19,25,33-34H,1-3,13,15-16,18H2

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

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 462.5602 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Pöhler R, Krahn JH, van den Boom J, Dobrynin G, Kaschani F, Eggenweiler HM,
Zenke FT, Kaiser M, Meyer H. 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. Epub 2018
Jan 15. PubMed PMID: 29271116.