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DPP9-IN-2

CAT: 0013-GTR19274280-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274280-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DPP9-IN-2 is a selective and potent orally active inhibitor of dipeptidyl peptidase 9 (DPP9), with an IC50 value of 12.9 nM. It exhibits a selectivity index of 59 for DPP8 and shows no significant inhibitory activity on related peptidases, including DPP2, DPP4, FAP, and PREP. DPP9-IN-2 can induce pyroptosis in cancer cells and demonstrates modest synergistic anti-HIV-1 activity when combined with non-nucleoside reverse transcriptase inhibitors. This compound is applicable for research in cancer and infection.
CAS Number
3020859-44-0
Smiles
O=C (NC12CC3CC (C1) CC (NCC (=O) N4CC5=CC=C (F) C=C5C4) (C3) C2) C6=CC=C (C=C6) C=7C=CC (F) =CC7
Molecular Formula
C33H33F2N3O2
Molecular Weight
541.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

US20250353833, Inhibitor NF-2023-050
CAS Number3020859-44-0
PubChem CID174308257
IUPAC NameN-[3-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]-4-(4-fluorophenyl)benzamide
Molecular FormulaC33H33F2N3O2
Molecular Weight541.6
XLogP5.1
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity945
SMILES
C1C2CC3(CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)NCC(=O)N6CC7=C(C6)C=C(C=C7)F
InChI
InChI=1S/C33H33F2N3O2/c34-28-8-5-24(6-9-28)23-1-3-25(4-2-23)31(40)37-33-15-21-11-22(16-33)14-32(13-21,20-33)36-17-30(39)38-18-26-7-10-29(35)12-27(26)19-38/h1-10,12,21-22,36H,11,13-20H2,(H,37,40)
InChIKey
XYJSAJMPFVAGQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US20250353833, Inhibitor NF-2023-050
CAS: 3020859-44-0
CID: 174308257
Formula: C33H33F2N3O2
MW: 541.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass541.25408363
Monoisotopic Mass541.25408363
Topological Polar Surface Area61.4 Ų
Heavy Atom Count40
Formal Charge0
Complexity945
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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