Description
Deltasonamide 1 is a PDE6δ-KRas inhibitor, with a KD of 203 pM.
Product information
CAS Number: 2088485-33-8
Molecular Weight: 647.25
Formula: C30H39ClN6O4S2
Chemical Name: N1-[(4-chlorophenyl)methyl]-N1-cyclopentyl-N4-{[2-(methylamino)pyrimidin-4-yl]methyl}-N4-[(piperidin-4-yl)methyl]benzene-1,4-disulfonamide
Smiles: CNC1N=CC=C(CN(CC2CCNCC2)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC2C=CC(Cl)=CC=2)C2CCCC2)N=1
InChiKey: FWBBCSKXUXMTJY-UHFFFAOYSA-N
InChi: InChI=1S/C30H39ClN6O4S2/c1-32-30-34-19-16-26(35-30)22-36(20-24-14-17-33-18-15-24)42(38,39)28-10-12-29(13-11-28)43(40,41)37(27-4-2-3-5-27)21-23-6-8-25(31)9-7-23/h6-13,16,19,24,27,33H,2-5,14-15,17-18,20-22H2,1H3,(H,32,34,35)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
Deltasonamide 1 binds inside the PDE6δ binding pocket, including H-bonds to R61, Q78, E88, and Y149 sidechains, to the carbonyl of C56, two water molecule-mediated H-bonds to the Glu 88 side-chain and the amide proton of M118, two aromatic–p interactions to the indole side-chains of W32 and W90, and one M117-aryl interaction. Deltasonamide 1 migrates slowly but show enhanced apparent permeability from the B to A side suggesting a potential interaction with efflux transporters. Deltasonamides results in a reduced interacting fraction of RheB-PDE6δ. Deltasonamide 1 results in a strongly reduced proliferation, even at submicromolar concentrations in MiaPaCa-2 cells.
Products are for research use only. Not for human use.
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