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JNJ-54175446

CAT: 0804-HY-117508-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117508-01Size:1 mg
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Description
JNJ-54175446 is a potent and selective brain penetrant P2X7 receptor antagonist, with pIC50s of 8.46 and 8.81 for hP2X7 receptor and rP2X7 receptor, respectively.
CAS Number
1627902-21-9
Product Name Alternative
MC 903 (Standard); Calcipotriene (Standard), 1,25-Dihydroxyvitamin D3
UNSPSC
12352005
Hazard Statement
H302
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/JNJ-54175446.html
Concentration
10mM
Purity
99.30
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
ClC1=C(C=CC=C1C(N2CCC3=C(N=NN3C4=NC=C(F)C=N4)[C@H]2C)=O)C(F)(F)F
Molecular Formula
C18H13ClF4N6O
Molecular Weight
440.78
Precautions
H302
References & Citations
[1]Letavic MA, et al. 4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic Properties Leading to the Identification of a Clinical Candidate. Send to
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
P2X7 Receptor

Chemical Information

Jnj-54175446

JNJ-54175446 is under investigation in clinical trial NCT02933762 (A Study in Healthy Participants to Evaluate the Effect of JNJ-54175446 on Amyloid Biomarkers and Cytokine Profiles in Cerebrospinal Fluid and Plasma).

CAS Number1627902-21-9
PubChem CID90409366
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
Molecular FormulaC18H13ClF4N6O
Molecular Weight440.8
XLogP3
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity634
SMILES
C[C@@H]1C2=C(CCN1C(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl)N(N=N2)C4=NC=C(C=N4)F
InChI
InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1
InChIKey
CWFVVQFVGMFTBD-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Jnj-54175446
CAS: 1627902-21-9
CID: 90409366
Formula: C18H13ClF4N6O
MW: 440.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.8
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass440.0775494
Monoisotopic Mass440.0775494
Topological Polar Surface Area76.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity634
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

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M33391-01JNJ-54175446
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