Products for Research Use Only

PVTX-405

CAT: 0013-GTR19263629-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263629-01Size:50 mg
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Description
PVTX-405 is a selective oral IKZF2 molecular glue degrader with a DC50 of 0.7 nM and a maximum degradation (Dmax) of 91%. It enhances degradation efficiency, significantly reduces off-target degradation, and minimizes hERG inhibition with an IC50 of 48 μM. PVTX-405 effectively inhibits MC38 tumor growth in Crbn391VC57BL/6 mouse xenograft models and shows superior synergistic anticancer effects when combined with immune checkpoint therapies (ICTs) such as anti-PD1 or anti-LAG3 antibodies.
CAS Number
2991021-08-8
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (N1CCC2 (C=3C (OC2) =C4C (=CC3) C (=O) N (C4) [C@@H]5C (=O) NC (=O) CC5) CC1) C6=CC (=CC=C6) C7=CN (C) N=C7
Molecular Formula
C30H31N5O4
Molecular Weight
525.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-3-[1'-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CAS Number2991021-08-8
PubChem CID169201312
IUPAC Name(3S)-3-[1'-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
Molecular FormulaC30H31N5O4
Molecular Weight525.6
XLogP1.9
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity982
SMILES
CN1C=C(C=N1)C2=CC=CC(=C2)CN3CCC4(CC3)COC5=C4C=CC6=C5CN(C6=O)[C@H]7CCC(=O)NC7=O
InChI
InChI=1S/C30H31N5O4/c1-33-16-21(14-31-33)20-4-2-3-19(13-20)15-34-11-9-30(10-12-34)18-39-27-23-17-35(25-7-8-26(36)32-28(25)37)29(38)22(23)5-6-24(27)30/h2-6,13-14,16,25H,7-12,15,17-18H2,1H3,(H,32,36,37)/t25-/m0/s1
InChIKey
SITNTOVOBBQZJQ-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-[1'-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CAS: 2991021-08-8
CID: 169201312
Formula: C30H31N5O4
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass525.23760449
Monoisotopic Mass525.23760449
Topological Polar Surface Area96.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes