MedKoo Cat#: 122519 | Name: DH4

Description:

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

DH4 is a SERT inhibitor with IC50 = 0.58 nM. DH4 was discovered with a bioavailability of 83.28% in rats by replacing the nonbioavailable substructure of approved drug vilazodone. DH4 exhibits promising antidepression efficacy in animal experiments.

Chemical Structure

DH4
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122519

Name: DH4

CAS#: N/A

Chemical Formula: C26H24F2N6

Exact Mass: 458.2000

Molecular Weight: 458.52

Elemental Analysis: C, 68.11; H, 5.28; F, 8.29; N, 18.33

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
DH4; DH 4; DH-4
IUPAC/Chemical Name
3-(3-(4-(5-(2,4-difluorophenyl)pyrimidin-2-yl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
InChi Key
MONCKXMZFAXBAZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H24F2N6/c27-21-4-5-22(24(28)13-21)20-16-31-26(32-17-20)34-10-8-33(9-11-34)7-1-2-19-15-30-25-6-3-18(14-29)12-23(19)25/h3-6,12-13,15-17,30H,1-2,7-11H2
SMILES Code
FC1=CC(F)=CC=C1C(C=N2)=CN=C2N(CC3)CCN3CCCC4=CNC5=CC=C(C#N)C=C54
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 458.52 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
Wang ZZ, Yi C, Huang JJ, Xu TF, Chen KZ, Wang ZS, Xue YP, Lu JL, Nie B, Zhang YJ, Jin CF, Hao GF. Deciphering Nonbioavailable Substructures Improves the Bioavailability of Antidepressants by Serotonin Transporter. J Med Chem. 2023 Jan 12;66(1):371-383. doi: 10.1021/acs.jmedchem.2c01339. Epub 2023 Jan 4. PMID: 36598095.