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NPD-1335

CAT: 0013-GTR19205288-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205288-03Size:100 mg
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Description
NPD1335 is a potent and selective inhibitor of Trypanosoma brucei phosphodiesterase B1 (TbrPDEB1) . Its submicromolar anti-parasitic activity stems from elevating intracellular cAMP, which disrupts the cell cycle. This mechanism makes it a valuable chemical tool for studying cAMP signaling in trypanosomes in both in vitro and in vivo research contexts.
CAS Number
2376326-31-5
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
[H][C@]12CC=CC[C@@]1 ([H]) C (=NN (C (C) C) C2=O) c1ccc (OC) c (c1) C#CC (=O) NCc1ccccc1
Molecular Formula
C28H29N3O3
Molecular Weight
455.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 138911335
CAS Number2376326-31-5
PubChem CID138911335
IUPAC Name3-[5-[(4aS,8aR)-4-oxo-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]-N-benzylprop-2-ynamide
Molecular FormulaC28H29N3O3
Molecular Weight455.5
XLogP4.5
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity874
SMILES
CC(C)N1C(=O)[C@H]2CC=CC[C@H]2C(=N1)C3=CC(=C(C=C3)OC)C#CC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C28H29N3O3/c1-19(2)31-28(33)24-12-8-7-11-23(24)27(30-31)22-13-15-25(34-3)21(17-22)14-16-26(32)29-18-20-9-5-4-6-10-20/h4-10,13,15,17,19,23-24H,11-12,18H2,1-3H3,(H,29,32)/t23-,24+/m1/s1
InChIKey
CNKULZYKNGMIIR-RPWUZVMVSA-N
Chemical Structure
2D Structure
2D structure of CID 138911335
CAS: 2376326-31-5
CID: 138911335
Formula: C28H29N3O3
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass455.22089180
Monoisotopic Mass455.22089180
Topological Polar Surface Area71 Ų
Heavy Atom Count34
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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