Jnj-54175446

HCID 90409366
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Basic information

CAS
1627902-21-9
Standard SMILES
C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIKey
CWFVVQFVGMFTBD-SECBINFHSA-N
Molecular formula
C18H13ClF4N6O
Average molar mass
440.8 g/mol
Monoisotopic mass
440.0775496

Overview

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).

Names & identifiers

Preferred name
Jnj-54175446
IUPAC
[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
English name
(r)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanone
Molecular formula
C18H13ClF4N6O
Molecular weight
440.78

Names & synonyms

JNJ-541754461627902-21-932524GLF40Methanone, (2-chloro-3-(trifluoromethyl)phenyl)((4R)-1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo(4,5-C)pyridin-5-yl)-Methanone, (2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo(4,5-c)pyridin-5-yl)-RefChem:1505532-((4R)-5-(2-chloro-3-(trifluoromethyl)benzoyl)-4-methyl-1H,4H,5H,6H,7H-(1,2,3)triazolo(4,5-c)pyridin-1-yl)-5-fluoropyrimidine(r)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanoneMFCD31556312(R)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanoneA1L0I
Show more names
JNJ-5446JNJ 54175446,JNJ54175446Methanone, [2-chloro-3-(trifluoromethyl)phenyl][(4R)-1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo[4,5-c]pyridin-5-yl]-
C18H13ClF4N6Oorb1707157CHEMBL4079239SCHEMBL16036477SCHEMBL30900468SCHEMBL31347774UNII-32524GLF40TQR1090

Database identifiers

CAS
1627902-21-9
PubChem CID
90409366
DTXSID
DTXSID201358973
ChEMBL
CHEMBL4079239
UNII
32524GLF40
Nikkaji
J3.655.327H

Properties

Computed structural properties

XLogP
3
Topological polar surface area
76.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
2
Heavy atoms
30

Physicochemical properties

Boiling point
635.6 · 635.6±65.0 °C(Predicted)
Density
1.62 · 1.62±0.1 g/cm3(Predicted)
solubility
62.5 · DMSO:62.5(Max Conc. mg/mL);141.79(Max Conc. mM)
pka
-1.93 · -1.93±0.40(Predicted)
form
Solid
color
Light yellow to yellow

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

UsesJNJ-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.

Suppliers19 total

Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988941402 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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