JNJ-40418677 - ≥99% , CAS No.1146594-87-7

CAS: 1146594-87-7 Cat. No.: J657040 Peso molecular: 480.44 Número EC: 802-633-5 PubChem CID: 52939724
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
UNII-Z1CWW31SGG | BDBM50114790 | RQOWDDLKGBMJFX-QHCPKHFHSA-N | Q27294866 | (2S)-2-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid | AS-16391 | AKOS037643428 | JNJ40418677 | JNJ-40418677 | (1,1':3',1''-Terphenyl)-5'-acetic acid, alpha-(2-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
J657040-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
312,90US$
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-40418677 is an orally active modulator of γ-secretase , can cross the blood-brain barrier. JNJ-40418677 inhibits Aβ42 and NS2B-NS3 protease , with IC 50 s of 200 nM and 3.9 μM, respectively. JNJ-40418677 displays good biological tolerance, can be use for Alzheimer’s disease research.

Form:Solid

IC50& Target:IC50: 185 nM (rat Aβ42); 200 nM (human Aβ42); 3.9 μM (ZIKV NS2B-NS3 protease)

In Vitro:JNJ-40418677 (0.2 nM-0.3 mM; 16 h) selectively reduces Aβ42 secretion in cell culture supernatants of human neuroblastoma cells with mean IC 50 of 200 nM and (0.2 nM-0.3 mM; 48 h) of rat primary neurons with mean IC 50 of 185 nM. JNJ-40418677 (10 μM, 100 μM; 18 h) does not inhibit Notch processing or (6 nM-20 μM; 18 h) not affect formation of other amyloid precursor protein cleavage (CTF-β, CTF-α) products, and shows no inhibitory activity against COX-1/2 at a high concentration of 60 μM. JNJ-40418677 suppresses ZIKV in human neuronal stem cells with an EC 50 value of 3.2 μM, and inhibits ZIKV NS2B-NS3 protease with an IC 50 value of 3.9 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HEK293 cells Concentration: 10 μM Incubation Time: 18 h Result: Resulted Aβ42 decreasing, Aβ38 increasing and Aβ40 levels remained unchanged.

In Vivo:JNJ-40418677 (10-300 mg/kg; p.o.) decreases Aβ42 brain levels in a dose-dependent manner 4 h after treatment, while increasing Aβ38 level in non-transgenic mouse brain. JNJ-40418677 (30 mg/kg; p.o.; once) shows the mean brain and plasma levels 4 h after single dose are both 17 μM, indicating good brain penetration in non-transgenic mouse brain. JNJ-40418677 (20-120 mg/kg; p.o.; 7 months) has good biological tolerance with no adverse effects in a chronic treatment in Tg2576 mice. JNJ-40418677 (20-120 mg/kg; p.o.; 7 months) decreases the plaque number and the area occupied by plaques in Tg2576 mice dose-dependently. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Non-transgenic mouse (6-month-old) Dosage: 10, 30, 100, 300 mg/kg Administration: Oral gavage; once Result: Reduced the Aβ42 brain levels dose-dependently, with 82%, 64%, 39%, and 31% at the doses of 10, 30, 100, 300 mg/kg, respectively. Animal Model: Tg2576 mice (6-month-old) Dosage: 20, 60, 120 mg/kg Administration: Oral gavage; 7 months Result: Exhibited well tolerated activity, without adverse effects on body weight. Showed no influence on the steady state levels of full-length APP, CTF-a, and CTF-b at a dosage of 120 mg/kg. Significantly reduced plaque area fraction and number of plaques.

Specifications

Sinónimos
UNII-Z1CWW31SGG | BDBM50114790 | RQOWDDLKGBMJFX-QHCPKHFHSA-N | Q27294866 | (2S)-2-[3, 5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid | AS-16391 | AKOS037643428 | JNJ40418677 | JNJ-40418677 | (1, 1':3', 1''-Terphenyl)-5'-acetic acid, alpha-(2-
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
JNJ-40418677 is an orally active modulator of γ-secretase , can cross the blood-brain barrier. JNJ-40418677 inhibits Aβ42 and NS2B-NS3 protease , with IC 50 s of 200 nM and 3.9 μM, respectively. JNJ-40418677 displays good biological tolerance, can be use
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
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCC(C)CC(C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O
IUPAC Name(2S)-2-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
InChIKeyRQOWDDLKGBMJFX-QHCPKHFHSA-N
INCHI1S/C26H22F6O2/c1-15(2)11-23(24(33)34)20-13-18(16-3-7-21(8-4-16)25(27,28)29)12-19(14-20)17-5-9-22(10-6-17)26(30,31)32/h3-10,12-15,23H,11H2,1-2H3,(H,33,34)/t23-/m0/s1
Isómeros SMILES CC(C)C[C@@H](C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)O
WGK Alemania 3
PubChem CID 52939724
Peso molecular 480.44

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
SubclassTerphenyls
Intermediate Tree Nodes Not available
Direct ParentM-terphenyls
Alternative Parents Biphenyls and derivatives  Trifluoromethylbenzenes  Monocarboxylic acids and derivatives  Carboxylic acids  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Meta-terphenyl - Biphenyl - Trifluoromethylbenzene - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (no humanos)
Rattus norvegicus (775804 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
Peso molecular480.400 g/mol
XLogP38.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass480.152 Da
Monoisotopic Mass480.152 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count34
Formal Charge0
Complexity615.000
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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