JNJ-54175446 - ≥99% , P2X purinoceptor 7 antagonist, CAS No.1627902-21-9, P2X purinoceptor 7 antagonist

CAS: 1627902-21-9 Cat. No.: J647649 Peso molecular: 440.78 PubChem CID: 90409366
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
BDBM254266 | TQR1090 | AS-35269 | MFCD31556312 | US9464084, 158 | [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 | (R)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyr
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
J647649-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.100,90US$
5mg
J647649-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.960,90US$
10mg
J647649-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
3.000,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

JNJ-54175446 is a potent and selective brain penetrant P2X7 receptor antagonist, with pIC 50 s of 8.46 and 8.81 for hP2X7 receptor and rP2X7 receptor, respectively.

In Vitro

JNJ-54175446 (Compound 14) is a potent and selective brain penetrant P2X7 antagonist, with pIC 50 s of 8.46 and 8.81 for hP2X7 and rP2X7, respectively. JNJ-54175446 shows less potent activity against mouse, dog and Macaque P2X7 (pIC 50 , 7.8, 7.9 and 8.1, respectively). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

JNJ-54175446 shows dose-dependent occupancy with the ED 50 of 0.46 mg/kg, corresponding to plasma EC 50 of 105 ng/mL . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:pIC50: 8.46 (hP2X7 receptor), 8.81 (rP2X7 receptor)

Specifications

Sinónimos
BDBM254266 | TQR1090 | AS-35269 | MFCD31556312 | US9464084, 158 | [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 | (R)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyr
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
JNJ-54175446 is a potent and selective brain penetrant P2X7 receptor antagonist, with pIC 50 s of 8.46 and 8.81 for hP2X7 receptor and rP2X7 receptor, respectively.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
ANTAGONIST
Mecanismo de acción
P2X purinoceptor 7 antagonist
Pureza
≥99%
Propiedades del producto
ALogP3
Nombres e identificadores
Sonrisas canónicasCC1C2=C(CCN1C(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl)N(N=N2)C4=NC=C(C=N4)F
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
InChIKeyCWFVVQFVGMFTBD-SECBINFHSA-N
INCHI1S/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
Isómeros 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
CAS alternativo 1627902-21-9
PubChem CID 90409366
Términos de entrada MeSH (2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoro-2-pyrimidinyl)-4-methyl-1,4,6,7-tetrahydro-5H-(1,2,3)triazolo(4,5-c)pyridin-5-yl)methanone;JNJ-54175446;Methanone, (2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl
Peso molecular 440.78

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents 2-halobenzoic acids and derivatives  Triazolopyridines  Benzamides  Benzoyl derivatives  Halopyrimidines  Chlorobenzenes  Aryl chlorides  Aryl fluorides  Vinylogous halides  Triazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  Organonitrogen compounds  Alkyl fluorides  Organooxygen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Triazolopyridine - Benzoyl - Chlorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous halide - Azole - 1,2,3-triazole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
P2RX7 Tchem P2X purinoceptor 7 (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX4 Tchem P2X purinoceptor 4 (516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX1 Tchem P2X purinoceptor 1 (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX2 Tchem P2X2/P2X3 heterotrimeric receptor (633 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
P2rx2 P2X purinoceptor 2 (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2rx3 P2X purinoceptor 3 (632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2X7 P2X purinoceptor (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : 62.5 mg/mL (141.79 mM; Need ultrasonic)
Peso molecular440.800 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass440.078 Da
Monoisotopic Mass440.078 Da
Topological Polar Surface Area76.800 Ų
Heavy Atom Count30
Formal Charge0
Complexity634.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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