MedKoo Cat#: 464871 | Name: VU6005852

Description:

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

VU6005852 is a positive allosteric modulators of the muscarinic acetylcholine receptor M1. VU6005852 shows robust selectivity for the M1 mAChR, and no M1 agonism.

Chemical Structure

VU6005852
VU6005852
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464871

Name: VU6005852

CAS#: unknown

Chemical Formula: C25H23F2N5O2

Exact Mass: 463.1820

Molecular Weight: 463.49

Elemental Analysis: C, 64.79; H, 5.00; F, 8.20; N, 15.11; O, 6.90

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
VU6005852; VU 6005852; VU-6005852;
IUPAC/Chemical Name
5-(2,6-difluoro-4-(2-methyl-2H-indazol-4-yl)benzyl)-1-((tetrahydrofuran-2-yl)methyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
InChi Key
CWJZFECAZYWCIF-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H23F2N5O2/c1-30-13-19-18(5-2-6-23(19)29-30)15-8-21(26)20(22(27)9-15)14-31-11-16-10-28-32(24(16)25(31)33)12-17-4-3-7-34-17/h2,5-6,8-10,13,17H,3-4,7,11-12,14H2,1H3
SMILES Code
FC1=C(CN2C(C(N(CC3OCCC3)N=C4)=C4C2)=O)C(F)=CC(C5=CC=CC6=NN(C)C=C65)=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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 463.49 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
1: Spearing PK, Cho HP, Luscombe VB, Blobaum AL, Boutaud O, Engers DW, Rodriguez AL, Niswender CM, Jeffrey Conn P, Lindsley CW, Bender AM. Discovery of a novel class of heteroaryl-pyrrolidinones as positive allosteric modulators of the muscarinic acetylcholine receptor M1. Bioorg Med Chem Lett. 2021 Jun 9;47:128193. doi: 10.1016/j.bmcl.2021.128193. Epub ahead of print. PMID: 34118412.