Products for Research Use Only

Deltasonamide 2 (TFA)

CAT: 0013-GTR19206074-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19206074-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Deltasonamide 2 TFA is a potent and selective competitive inhibitor of PDEδ, exhibiting high-affinity binding with a dissociation constant (Kd) of approximately 385 pM. This inhibitor is a valuable research tool for studying KRAS-driven cancers and other diseases in both cellular and animal models by disrupting oncogenic protein trafficking.
CAS Number
2235358-74-2
Field of Research
Immunology & Inflammation, Metabolism Research
Smiles
OC (=O) C (F) (F) F.CNc1nccc (CN ([C@H]2CC[C@H] (N) CC2) S (=O) (=O) c2ccc (cc2) S (=O) (=O) N (Cc2ccc (Cl) cc2) C2CCCC2) n1
Molecular Formula
C32H40ClF3N6O6S2
Molecular Weight
761.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deltasonamide 2 (TFA)
CAS Number2235358-74-2
PubChem CID138454775
IUPAC Name4-N-(4-aminocyclohexyl)-1-N-[(4-chlorophenyl)methyl]-1-N-cyclopentyl-4-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide;2,2,2-trifluoroacetic acid
Molecular FormulaC32H40ClF3N6O6S2
Molecular Weight761.3
Topological Polar Surface Area193
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count50
Formal Charge0
Complexity1160
SMILES
CNC1=NC=CC(=N1)CN(C2CCC(CC2)N)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C30H39ClN6O4S2.C2HF3O2/c1-33-30-34-19-18-25(35-30)21-37(27-12-10-24(32)11-13-27)43(40,41)29-16-14-28(15-17-29)42(38,39)36(26-4-2-3-5-26)20-22-6-8-23(31)9-7-22;3-2(4,5)1(6)7/h6-9,14-19,24,26-27H,2-5,10-13,20-21,32H2,1H3,(H,33,34,35);(H,6,7)
InChIKey
CPZRTOXQVYGULV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deltasonamide 2 (TFA)
CAS: 2235358-74-2
CID: 138454775
Formula: C32H40ClF3N6O6S2
MW: 761.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight761.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass760.2091375
Monoisotopic Mass760.2091375
Topological Polar Surface Area193 Ų
Heavy Atom Count50
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes