MedKoo Cat#: 150003 | Name: LuAF60097

Description:

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

LuAF60097 is a high-affinity S2-ligand. LuAF60097 allosterically couples the ligand binding to S1. LuAF60097 is involved in SERT inhibition as demonstrated by the potentiated imipramine binding and increased hippocampal serotonin level

Chemical Structure

LuAF60097
LuAF60097
CAS#2507890-46-0

Theoretical Analysis

MedKoo Cat#: 150003

Name: LuAF60097

CAS#: 2507890-46-0

Chemical Formula: C32H32FN3O3

Exact Mass: 525.2428

Molecular Weight: 525.62

Elemental Analysis: C, 73.12; H, 6.14; F, 3.61; N, 7.99; O, 9.13

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
LuAF60097; Lu AF60097; Lu-AF60097
IUPAC/Chemical Name
(S)-1-(4-fluorophenyl)-1-(3-(4-(2-oxo-1,2-dihydroquinolin-7-yl)piperidin-1-yl)propyl)-1,3-dihydroisobenzofuran-5-carboxamide
InChi Key
KNQRTZFUQPXVLO-YTTGMZPUSA-N
InChi Code
1S/C32H32FN3O3/c33-27-8-6-26(7-9-27)32(28-10-4-24(31(34)38)18-25(28)20-39-32)14-1-15-36-16-12-21(13-17-36)23-3-2-22-5-11-30(37)35-29(22)19-23/h2-11,18-19,21H,1,12-17,20H2,(H2,34,38)(H,35,37)/t32-/m0/s1
SMILES Code
O=C1C=CC2=C(C=C(C3CCN(CCC[C@@]4(C5=CC=C(F)C=C5)OCC6=CC(C(N)=O)=CC=C64)CC3)C=C2)N1
Appearance
To be determined
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 525.62 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: Plenge P, Abramyan AM, Sørensen G, Mørk A, Weikop P, Gether U, Bang-Andersen B, Shi L, Loland CJ. The mechanism of a high-affinity allosteric inhibitor of the serotonin transporter. Nat Commun. 2020 Mar 20;11(1):1491. doi: 10.1038/s41467-020-15292-y. PMID: 32198394; PMCID: PMC7083837.