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DCZ5418

CAT: 0013-GTR19235516-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235516-02Size:50 mg
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Description
DCZ5418 is a selective TRIP13 inhibitor exhibiting potent anti-proliferative activity against multiple myeloma cells in vitro and reducing tumor burden in animal models. This small molecule is a valuable research tool for studying AAA+ ATPase function in oncology, particularly in mechanisms of therapeutic resistance.
CAS Number
2883709-99-5
Field of Research
Cell Biology, Signal Transduction
Smiles
C[C@]12[C@] (C) ([C@]3 (O[C@@]1 (CC3) [H]) [H]) C (=O) N (C2=O) C4=CC=C (CC=5C=CN=CC5) C=C4
Molecular Formula
C22H22N2O3
Molecular Weight
362.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3aR,4S,7R,7aS)-3a,7a-dimethyl-2-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
CAS Number2883709-99-5
PubChem CID169494493
IUPAC Name(3aR,4S,7R,7aS)-3a,7a-dimethyl-2-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Molecular FormulaC22H22N2O3
Molecular Weight362.4
XLogP2.6
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity603
SMILES
C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)N(C2=O)C4=CC=C(C=C4)CC5=CC=NC=C5)C)O3
InChI
InChI=1S/C22H22N2O3/c1-21-17-7-8-18(27-17)22(21,2)20(26)24(19(21)25)16-5-3-14(4-6-16)13-15-9-11-23-12-10-15/h3-6,9-12,17-18H,7-8,13H2,1-2H3/t17-,18+,21+,22-
InChIKey
DZGUDPKHBIPNCC-MTIDIVMFSA-N
Chemical Structure
2D Structure
2D structure of (3aR,4S,7R,7aS)-3a,7a-dimethyl-2-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
CAS: 2883709-99-5
CID: 169494493
Formula: C22H22N2O3
MW: 362.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass362.16304257
Monoisotopic Mass362.16304257
Topological Polar Surface Area59.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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