DDD86481 Tosylate

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

Catalog Number: I025645

Molecular Formula: C31H38Cl2N6O5S2

Molecular Weight:709.702

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsDDD86481 Tosylate; DDD 86481; DDD86481;DDD-86481; PCLX-001; PCLX 001; PCLX001; CCI-002; CCI 002; CCI002;

Property

Molecular Formula: C31H38Cl2N6O5S2
Molecular Weight709.702
SolubilitySoluble in DMSO
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name2,6-dichloro-N-(3-isobutyl-1,5-dimethyl-1H-pyrazol-4-yl)-4-(2-(piperazin-1-yl)pyridin-4-yl)benzenesulfonamide 4-methylbenzenesulfonate
InChIInChI=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)
InChIKeyHFQXQJVIGKMXHU-UHFFFAOYSA-N
SMILESO=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