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MedKoo Cat#: 571476 | Name: DDD86481 free base
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Description:

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

DDD86481 is a highly potent A. fumigatus NMT inhibitor (IC50 = 12 nM). It is a CaNMT inhibitor with good fungal selectivity.

Chemical Structure

DDD86481 free base
DDD86481 free base
CAS#1215011-08-7 (free base)

Theoretical Analysis

MedKoo Cat#: 571476

Name: DDD86481 free base

CAS#: 1215011-08-7 (free base)

Chemical Formula: C24H30Cl2N6O2S

Exact Mass: 536.1528

Molecular Weight: 537.50

Elemental Analysis: C, 53.63; H, 5.63; Cl, 13.19; N, 15.64; O, 5.95; S, 5.96

Price and Availability

Size Price Availability Quantity
5mg USD 950.00 2 Weeks
10mg USD 1,650.00 2 Weeks
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Related CAS #
1215011-08-7 (free base) DDD86481 Tosylate
Synonym
DDD86481 free base; DDD 86481; DDD86481;DDD-86481; PCLX-001; PCLX 001; PCLX001; CCI-002; CCI 002; CCI002; zelenirstatum; zelenirstat
IUPAC/Chemical Name
2,6-Dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(1-piperazinyl)-4-pyridinyl]benzenesulfonamide
InChi Key
WKTSLVQYGBHNRV-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3
SMILES Code
O=S(C1=C(Cl)C=C(C2=CC(N3CCNCC3)=NC=C2)C=C1Cl)(NC4=C(C)N(C)N=C4CC(C)C)=O
Appearance
semi-solid or waxy solid or viscous solid
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
CaNMT inhibitors are fungicidal and show antifungal activity against Candida (especially fluconazole-resistant strains). They function by inhibiting N-myristoyltransferase (NMT), which catalyzes the transfer of a C14 fatty acid from myristoyl-CoA to the N-terminal of glycine in many fungal proteins. Without this process, fungi can die. This process also occurs in humans, and as such selectivity is an important characteristic of these drugs.
Certificate of Analysis
View CoA: current batch, Lot# A21O04B07
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 537.50 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: Liu N, Tu J, Dong G, Wang Y, Sheng C. Emerging New Targets for the Treatment of Resistant Fungal Infections. J Med Chem. 2018 Jan 16. doi: 10.1021/acs.jmedchem.7b01413. [Epub ahead of print] PubMed PMID: 29294275. 2. Fang, W.; Robinson, D. A.; Raimi, O. G.; Blair, D. E.; Harrison, J. R.; Lockhart, D. E.; Torrie, L. S.; Ruda, G. F.; Wyatt, P. G.; Gilbert, I. H.; van Aalten, D. M. N-myristoyltransferase is a cell wall target in aspergillus fumigatus. ACS Chem. Biol. 2015, 10, 1425−1434.