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CB-5339

CAT: 0013-GTR19188252-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188252-02Size:10 mg
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Description
P97-IN-1 is a highly potent small molecule inhibitor of the p97 ATPase, demonstrating inhibitory activity with an IC50 below 30 nM. This compound is a valuable research tool for investigating p97 function in protein homeostasis, with applications in both cellular and biochemical studies relevant to cancer and neurodegenerative disease research.
CAS Number
1863952-15-1
Product Name Alternative
P97, CB5339, CB-5339, CB 5339, 1HIndole4carboxamide,2methyl1[5,6,7,8tetrahydro4[ (phenylmethyl) amino]pyrido[2,3d]pyrimidin2yl]
Field of Research
Protein Biochemistry
Purity
97.66% (May vary between batches)
Solubility
DMSO:50 mg/mL (121.22 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:2.5 mg/mL (6.06 mM)
Smiles
CC=1N (C=2C (=C (C (N) =O) C=CC2) C1) C3=NC (NCC4=CC=CC=C4) =C5C (N3) =NCCC5
Molecular Formula
C24H24N6O
Molecular Weight
412.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CAS Number1863952-15-1
PubChem CID122685543
IUPAC Name1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
Molecular FormulaC24H24N6O
Molecular Weight412.5
XLogP4.1
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity625
SMILES
CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCN4)C(=N3)NCC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H24N6O/c1-15-13-19-17(21(25)31)9-5-11-20(19)30(15)24-28-22-18(10-6-12-26-22)23(29-24)27-14-16-7-3-2-4-8-16/h2-5,7-9,11,13H,6,10,12,14H2,1H3,(H2,25,31)(H2,26,27,28,29)
InChIKey
XDHFSLWWYBVSLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CAS: 1863952-15-1
CID: 122685543
Formula: C24H24N6O
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass412.20115941
Monoisotopic Mass412.20115941
Topological Polar Surface Area97.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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