VU0455691

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 558405

CAS#: 1392443-41-2

Description: VU0455691 is a selective Allosteric Modulators of the M1 Muscarinic Receptor.


Chemical Structure

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VU0455691
CAS# 1392443-41-2

Theoretical Analysis

MedKoo Cat#: 558405
Name: VU0455691
CAS#: 1392443-41-2
Chemical Formula: C24H25N5O3S
Exact Mass: 463.17
Molecular Weight: 463.56
Elemental Analysis: C, 62.19; H, 5.44; N, 15.11; O, 10.35; S, 6.92

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: VU0455691; VU-0455691; VU 0455691;

IUPAC/Chemical Name: [Hexahydro-5-(4-pyridinyl)pyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(5-isoquinolinylsulfonyl)-3-azetidinyl]-methanone

InChi Key: VORKZGMPBYXFTH-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2

SMILES Code: O=C(N1CC(CN(C2=CC=NC=C2)C3)C3C1)C4CN(S(=O)(C5=CC=CC6=C5C=CN=C6)=O)C4

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: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 463.56 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: Melancon BJ, Utley TJ, Sevel C, Mattmann ME, Cheung YY, Bridges TM, Morrison RD, Sheffler DJ, Niswender CM, Daniels JS, Conn PJ, Lindsley CW, Wood MR. Development of novel M1 antagonist scaffolds through the continued optimization of the MLPCN probe ML012. Bioorg Med Chem Lett. 2012 Aug 1;22(15):5035-40. doi: 10.1016/j.bmcl.2012.06.018. Epub 2012 Jun 15. PubMed PMID: 22749871; PubMed Central PMCID: PMC3883446.