PND-1186 hydrochloride - ≥98% , CAS No.1356154-94-3

CAS: 1356154-94-3 Cat. No.: P651695 Peso molecular: 537.96 PubChem CID: 56654067
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
UNII-S803K9N9TL | 2-(2-(2-Methoxy-4-morpholinophenylamino)-5-(trifluoromethyl)pyridine-4-ylamino)-N-methylbenzamide hydrochloride | S803K9N9TL | SR-2516 (hydrochloride) | VS-4718 hydrochloride | PND-1186 hydrochloride | MS-29927 | HY-13917A | Benzamide, 2
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
P651695-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
220,90US$
10mg
P651695-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
300,90US$
50mg
P651695-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
840,90US$
100mg
P651695-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.500,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Descripción general

PND-1186 hydrochloride (VS-4718 hydrochloride) is a potent, highly-specific and reversible inhibitor of FAK with an IC 50 of 1.5 nM. PND-1186 hydrochloride selectively promotes tumor cell apoptosis.

In Vitro

PND-1186 has an IC 50 of ~100 nM in breast carcinoma cells as determined by anti-phospho-specific immunoblotting to FAK Tyr-397. In murine 4T1 breast carcinoma cells, FAK is important in promoting an invasive and metastatic cell phenotype. Increasing concentrations of PND-1186 (0.1 to 1.0 µM) added to 4T1 cells inhibits FAK Tyr-397 phosphorylation (pY397) and results in elevated levels of total FAK protein within 1 h. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: 4T1 breast carcinoma cells Concentration: 0.1, 0.2, 0.4, 0.6 and 1.0 µM Incubation Time: 1 hour Result: Inhibited FAK Tyr-397 phosphorylation (pY397) and resulted in elevated levels of total FAK protein.

In Vivo

PND-1186 (30 mg/kg or 100 mg/kg; subcutaneously; injected subcutaneously in the neck region) inhibits 4T1 subcutaneous tumor growth by induction of apoptosis . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: BALB/c mice Dosage: 30 mg/kg or 100 mg/kg Administration: Injected (100 µL) subcutaneously in the neck region; every 12 h (twice-daily, b.i.d.) for 5 days. Result: 100 mg/kg treatment significantly reduced final 4T1 tumor weight 2-fold whereas 30 mg/kg treatment slightly reduced final tumor weight but was not significantly different compared to control.

Form:Solid

Specifications

Sinónimos
UNII-S803K9N9TL | 2-(2-(2-Methoxy-4-morpholinophenylamino)-5-(trifluoromethyl)pyridine-4-ylamino)-N-methylbenzamide hydrochloride | S803K9N9TL | SR-2516 (hydrochloride) | VS-4718 hydrochloride | PND-1186 hydrochloride | MS-29927 | HY-13917A | Benzamide, 2
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
PND-1186 hydrochloride (VS-4718 hydrochloride) is a potent, highly-specific and reversible inhibitor of FAK with an IC 50 of 1.5 nM. PND-1186 hydrochloride selectively promotes tumor cell apoptosis.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
ACTIVATOR
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC.Cl
IUPAC Name2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide;hydrochloride
InChIKeyOWQFAUOQRRIFLB-UHFFFAOYSA-N
INCHI1S/C25H26F3N5O3.ClH/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33;/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32);1H
Isómeros SMILES CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC.Cl
CAS alternativo 1356154-94-3
PubChem CID 56654067
Peso molecular 537.96

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
SuperclassOrganoheterocyclic compounds
ClaseOxazinanes
SubclassMorpholines
Intermediate Tree Nodes Not available
Direct ParentPhenylmorpholines
Alternative Parents Anthranilamides  2-aminobenzamides  Aminophenyl ethers  Methoxyanilines  Benzoyl derivatives  Dialkylarylamines  Methoxybenzenes  Anisoles  Phenoxy compounds  Aminopyridines and derivatives  Alkyl aryl ethers  Imidolactams  Primary aromatic amines  Vinylogous amides  Heteroaromatic compounds  Amino acids and derivatives  Secondary carboxylic acid amides  Azacyclic compounds  Dialkyl ethers  Oxacyclic compounds  Secondary amines  Hydrocarbon derivatives  Hydrochlorides  Alkyl fluorides  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylmorpholine - Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzamide - Benzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Benzoyl - Methoxybenzene - Anisole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Pyridine - Primary aromatic amine - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Ether - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Organic oxide - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Hydrochloride - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PTK2 Tclin Focal adhesion kinase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTK2 Tclin Focal adhesion kinase 1 (4730 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 : 200 mg/mL (371.77 mM; Need ultrasonic) H2O : 20 mg/mL (37.18 mM; Need ultrasonic)
Peso molecular538.000 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass537.175 Da
Monoisotopic Mass537.175 Da
Topological Polar Surface Area87.800 Ų
Heavy Atom Count37
Formal Charge0
Complexity709.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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