WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H530985
CAS#: 1215010-55-1
Description: DDD85646 is a T. brucei N-myristoyltransferase (TbNMT) with an apparent Ki value of 1.44 nM. DDD85646 has potent activity against the enzyme (IC(50) = 2 nM) and T. brucei (EC(50) = 2 nM) in culture. DDD85646 has good oral pharmacokinetics and cures rodent models of peripheral HAT infection. DDD85646 provides an excellent tool for validation of T. brucei NMT as a drug target for HAT as well as a valuable lead for further optimization.
Hodoodo Cat#: H530985
Name: DDD85646
CAS#: 1215010-55-1
Chemical Formula: C21H24Cl2N6O2S
Exact Mass: 494.11
Molecular Weight: 495.423
Elemental Analysis: C, 50.91; H, 4.88; Cl, 14.31; N, 16.96; O, 6.46; S, 6.47
Synonym: DDD85646; DDD-85646; DDD 85646.
IUPAC/Chemical Name: 2,6-dichloro-4-[2-(1-piperazinyl)-4-pyridinyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
InChi Key: XMBSZPZJLPTFMV-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3
SMILES Code: O=S(C1=C(Cl)C=C(C2=CC(N3CCNCC3)=NC=C2)C=C1Cl)(NC4=C(C)N(C)N=C4C)=O
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 495.42 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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8: Roberts AJ, Torrie LS, Wyllie S, Fairlamb AH. Biochemical and genetic characterization of Trypanosoma cruzi N-myristoyltransferase. Biochem J. 2014 Apr 15;459(2):323-32. doi: 10.1042/BJ20131033. PubMed PMID: 24444291; PubMed Central PMCID: PMC3969225.
9: Najumudeen AK, Köhnke M, Solman M, Alexandrov K, Abankwa D. Cellular FRET-Biosensors to Detect Membrane Targeting Inhibitors of N-Myristoylated Proteins. PLoS One. 2013 Jun 18;8(6):e66425. doi: 10.1371/journal.pone.0066425. Print 2013. PubMed PMID: 23824448; PubMed Central PMCID: PMC3688908.
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12: Cross GA. Drug discovery: Fat-free proteins kill parasites. Nature. 2010 Apr 1;464(7289):689-90. doi: 10.1038/464689a. PubMed PMID: 20360728.