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MedKoo Cat#: 463641 | Name: DDD86481 Tosylate

Description:

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

DDD86481 Tosylate is a novel potent AfNMT inhibitor, potent inhibiting the NMT mutant and being fungicidal under repressed nmt expression.

Chemical Structure

DDD86481 Tosylate
DDD86481 Tosylate
CAS#DDD86481 Tosylate

Theoretical Analysis

MedKoo Cat#: 463641

Name: DDD86481 Tosylate

CAS#: DDD86481 Tosylate

Chemical Formula: C31H38Cl2N6O5S2

Exact Mass: 708.1722

Molecular Weight: 709.70

Elemental Analysis: C, 52.46; H, 5.40; Cl, 9.99; N, 11.84; O, 11.27; S, 9.03

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 #
1215011-08-7 (free base) DDD86481 Tosylate
Synonym
DDD86481 Tosylate; DDD 86481; DDD86481;DDD-86481; PCLX-001; PCLX 001; PCLX001; CCI-002; CCI 002; CCI002;
IUPAC/Chemical Name
2,6-dichloro-N-(3-isobutyl-1,5-dimethyl-1H-pyrazol-4-yl)-4-(2-(piperazin-1-yl)pyridin-4-yl)benzenesulfonamide 4-methylbenzenesulfonate
InChi Key
HFQXQJVIGKMXHU-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H30Cl2N6O2S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,12-15,27,30H,7-11H2,1-4H3;2-5H,1H3,(H,8,9,10)
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.OS(=O)(C5=CC=C(C)C=C5)=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
>3 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
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 709.70 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

View History

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