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PHA-408 - Moligand™ , Inhibitor of component of inhibitor of nuclear factor kappa B kinase complex;Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta, CAS No.503555-55-3, Inhibitor of component of inhibitor of nuclear factor kappa B kinase complex;Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta

CAS: 503555-55-3 Cat. No.: P612779 Fórmula: C29H27ClFN7O2 Peso molecular: 560.02 Número EC: 109-933-9 PubChem CID: 22291652
COA
PHA-408 - Moligand™ , Inhibitor of component of inhibitor of nuclear factor kappa B kinase complex;Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta, CAS No.503555-55-3, Inhibitor of component of inhibitor of nuclear factor kappa B kinase complex;Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
8-((5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinoyl)amino)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo(g)indazole-3-carboxamide | MS-30179 | PHA408 | PHA-408 | AKOS022178006 | 8-(5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihy
Storage
Room temperature
★
Size
Alemania (EU)
USA*
Price
Qty
5mg
P612779-5mg
Fabricado bajo pedido · 8–12 semanas

867,65€

1.158,34€
Guardar 290,69 € (25.10%)
25mg
P612779-25mg
Fabricado bajo pedido · 8–12 semanas

1.488,09€

1.737,13€
Guardar 249,04 € (14.34%)
Enter a quantity for the sizes you want to add.
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

Sinónimos
8-((5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinoyl)amino)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo(g)indazole-3-carboxamide | MS-30179 | PHA408 | PHA-408 | AKOS022178006 | 8-(5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihy
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of component of inhibitor of nuclear factor kappa B kinase complex;Inhibitor of inhibitor of nuclear factor kappa B kinase subunit beta
Nombres e identificadores
Sonrisas canónicasCN1CCN(CC1)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl
IUPAC Name8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
InChIKeyZLEZHGHFWIHCGU-UHFFFAOYSA-N
INCHI1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)
Isómeros SMILES CN1CCN(CC1)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl
PubChem CID 22291652
Peso molecular 560.02

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
ClaseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPyridinylpiperazines
Alternative Parents N-arylpiperazines  Phenylpyrazoles  Naphthalenes  Pyridinecarboxamides  2-heteroaryl carboxamides  Dialkylarylamines  Pyrazole-5-carboxamides  Aminopyridines and derivatives  Fluorobenzenes  N-methylpiperazines  Aryl chlorides  Aryl fluorides  Imidolactams  Heteroaromatic compounds  Vinylogous halides  Primary carboxylic acid amides  Secondary carboxylic acid amides  Amino acids and derivatives  Trialkylamines  Azacyclic compounds  Organochlorides  Organooxygen compounds  Organic oxides  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyridinylpiperazine - N-arylpiperazine - Phenylpyrazole - Naphthalene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Dialkylarylamine - Aminopyridine - Fluorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Benzenoid - Pyridine - Imidolactam - Vinylogous halide - Azole - Pyrazole - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CHUK Tchem Inhibitor of nuclear factor kappa-B kinase subunit alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
IKBKB Tchem Inhibitor of nuclear factor kappa-B kinase subunit beta (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKE Tchem Inhibitor of nuclear factor kappa B kinase epsilon subunit (3311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 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 molecular560.000 g/mol
XLogP33.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass559.19 Da
Monoisotopic Mass559.19 Da
Topological Polar Surface Area109.000 Ų
Heavy Atom Count40
Formal Charge0
Complexity915.000
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 Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

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