NPD-001

  • CAT Number: I033511
  • CAS Number: 469863-16-9
  • Molecular Formula: C33H40N6O4
  • Molecular Weight: 584.721
  • Purity: 98%
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NPD-001 (Cat.No:I033511) is a novel chemical compound currently under investigation for its potential therapeutic applications. As a research chemical, NPD-001’s specific properties and activities are still being explored. It holds promise for diverse areas, including drug discovery, medicinal chemistry, and pharmaceutical development. Further studies are underway to uncover its potential benefits and mechanisms of action.

Catalog Number I033511
CAS Number 469863-16-9
Synonyms

NPD-001; NPD 001; NPD001.

Molecular Formula

C33H40N6O4

Purity 98
Solubility Soluble in DMSO
Storage Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
IUPAC Name (4aR,8aS)-4-(3-(4-(4-(1H-tetrazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m1/s1
InChIKey DNDNLFXKQSTINI-IZLXSDGUSA-N
SMILES O=C1N(C2CCCCCC2)N=C(C3=CC=C(OC)C(OCCCCOC4=CC=C(C5=NN=NN5)C=C4)=C3)[C@]6([H])CC=CC[C@]16[H]
Reference

1: Veerman J, van den Bergh T, Orrling KM, Jansen C, Cos P, Maes L, Chatelain E,
Ioset JR, Edink EE, Tenor H, Seebeck T, de Esch I, Leurs R, Sterk GJ. Synthesis
and evaluation of analogs of the phenylpyridazinone NPD-001 as potent
trypanosomal TbrPDEB1 phosphodiesterase inhibitors and in vitro trypanocidals.
Bioorg Med Chem. 2016 Apr 1;24(7):1573-81. doi: 10.1016/j.bmc.2016.02.032. Epub
2016 Feb 26. PubMed PMID: 26935942.
2: de Koning HP, Gould MK, Sterk GJ, Tenor H, Kunz S, Luginbuehl E, Seebeck T.
Pharmacological validation of Trypanosoma brucei phosphodiesterases as novel drug
targets. J Infect Dis. 2012 Jul 15;206(2):229-37. doi: 10.1093/infdis/jir857.
Epub 2012 Jan 30. PubMed PMID: 22291195; PubMed Central PMCID: PMC3379837.

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