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TP-040

CAT: 0804-HY-131979-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131979-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TP-040 (O-GlcNAcase-IN-1), a chemical probe, is a potent and novel OGA inhibitor with an IC50 value of 46 nM.
CAS Number
2757254-99-0
Product Name Alternative
O-GlcNAcase-IN-1
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
OGA
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tp-040.html
Purity
98.59
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC1CCN(C2=NC(NCC3=CN(C)C=N3)=NC=C2)CC1
Molecular Formula
C15H22N6
Molecular Weight
286.38
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501
References & Citations
[1]Tawada M, et al. Discovery of a Novel and Brain-Penetrant O-GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization. J Med Chem. 2021 Jan 28;64 (2) :1103-1115.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CAS Number2757254-99-0
PubChem CID162640825
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
Molecular FormulaC15H22N6
Molecular Weight286.38
XLogP1.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity317
SMILES
CC1CCN(CC1)C2=NC(=NC=C2)NCC3=CN(C=N3)C
InChI
InChI=1S/C15H22N6/c1-12-4-7-21(8-5-12)14-3-6-16-15(19-14)17-9-13-10-20(2)11-18-13/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,16,17,19)
InChIKey
PWKAYICUBVNJAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CAS: 2757254-99-0
CID: 162640825
Formula: C15H22N6
MW: 286.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.38
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass286.19059473
Monoisotopic Mass286.19059473
Topological Polar Surface Area58.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity317
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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