MedKoo Cat#: 130469 | Name: STOCK1N-37454

Description:

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

STOCK1N-37454 is an allosteric inhibitor of human serotonin transporter (hSERT) that is more potent than vilazodone and (S)-citalopram at binding to active pockets and expanding boundaries.

Chemical Structure

STOCK1N-37454
STOCK1N-37454
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130469

Name: STOCK1N-37454

CAS#: N/A

Chemical Formula: C26H27N3O2

Exact Mass: 413.2103

Molecular Weight: 413.52

Elemental Analysis: C, 75.52; H, 6.58; N, 10.16; O, 7.74

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
STOCK1N-37454; STOCK1N37454; STOCK1N 37454
IUPAC/Chemical Name
(1R,5S)-3-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
InChi Key
GLQDHYZYYYRCEH-ABZYKWASSA-N
InChi Code
InChI=1S/C26H27N3O2/c30-20(17-28-24-8-3-1-6-21(24)22-7-2-4-9-25(22)28)16-27-13-18-12-19(15-27)23-10-5-11-26(31)29(23)14-18/h1-11,18-20,30H,12-17H2/t18-,19+,20?/m0/s1
SMILES Code
O=C1C=CC=C2N1C[C@]3([H])CN(CC(O)CN4C5=C(C6=C4C=CC=C6)C=CC=C5)C[C@@]2([H])C3
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 413.52 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. Ayipo YO, Ahmad I, Chong CF, Zainurin NA, Najib SY, Patel H, Mordi MN. Carbazole derivatives as promising competitive and allosteric inhibitors of human serotonin transporter: computational pharmacology. J Biomol Struct Dyn. 2023 Apr 6:1-22. doi: 10.1080/07391102.2023.2198016. Epub ahead of print. PMID: 37021485.