NPD-001 | CAS#469863-16-9 | TbrPDEB1 inhibitor

MedKoo Cat#: 555245 | Name: NPD-001

Description:

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

NPD-001 is a potent TbrPDEB1 inhibitor. NPD-001 is 10-fold more potent on hPDE4 (hPDE4B1 IC50 = 0.6 nM) than on TbrPDEB1 (IC50 = 4 nM). Trypanosomal phosphodiesterases B1 and B2 (TbrPDEB1 and TbrPDEB2) play an important role in the life cycle of Trypanosoma brucei, the causative parasite of human African trypanosomiasis (HAT), also known as African sleeping sickness. Knock down of both enzymes leads to cell cycle arrest and is lethal to the parasite.

Chemical Structure

NPD-001

CAS#469863-16-9

Theoretical Analysis

MedKoo Cat#: 555245

Name: NPD-001

CAS#: 469863-16-9

Chemical Formula: C33H40N6O4

Exact Mass: 584.3111

Molecular Weight: 584.72

Elemental Analysis: C, 67.79; H, 6.90; N, 14.37; O, 10.94

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

NPD-001; NPD 001; NPD001.

IUPAC/Chemical 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 Key

DNDNLFXKQSTINI-IZLXSDGUSA-N

InChi Code

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

SMILES Code

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]

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

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 584.72 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.

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: 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.