BAY-850 - ≥99% , CAS No.2099142-76-2

CAS: 2099142-76-2 Cat. No.: B650379 Peso molecular: 654.24 PubChem CID: 129196931
Disponible para pedir
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
B650379-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
620,90US$
10mg
B650379-10mg
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1.040,90US$
25mg
B650379-25mg
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1.980,90US$
50mg
B650379-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
3.000,90US$
100mg
B650379-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
4.400,90US$
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.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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

BAY-850 is a potent and isoform selective ATPase family AAA domain-containing protein 2 (ATAD2) inhibitor, with an IC 50 of 166 nM.

In Vitro

BAY-850 competes with the binding of a mono-acetylated Histone H4 N-terminal peptide to ATAD2 BD with an IC 50 of 166 nM measured in TR-FRET assay. BAY-850 displaces the tetra-acetylated peptide with an IC 50 of 157 nM and a K D of 115 nM respectively. The unprecedented isoform selectivity of BAY-850 suggests a different mode of action to those exhibited by canonical BD inhibitors. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:ATAD2

Specifications

Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
BAY-850 is a potent and isoform selective ATPase family AAA domain-containing protein 2 (ATAD2) inhibitor, with an IC 50 of 166 nM.
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 canónicasCC1=CC=C(C=C1)C(C)NCC2=CC=C(O2)C3=CC(=C(C=C3OC)Cl)C(=O)NC(CC4=CC=C(C=C4)C#N)CNC5CCC(CC5)N
IUPAC NameN-[(2R)-1-[(4-aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]furan-2-yl]benzamide
InChIKeyBSISGUIVBKDTQO-JLXKDNNHSA-N
INCHI1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29?,30?,31-/m1/s1
Isómeros SMILES CC1=CC=C(C=C1)[C@@H](C)NCC2=CC=C(O2)C3=CC(=C(C=C3OC)Cl)C(=O)N[C@H](CC4=CC=C(C=C4)C#N)CNC5CCC(CC5)N
PubChem CID 129196931
Peso molecular 654.24

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
SubclassPhenethylamines
Intermediate Tree Nodes Not available
Direct ParentAmphetamines and derivatives
Alternative Parents 2-halobenzoic acids and derivatives  Benzamides  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Benzonitriles  Anisoles  Chlorobenzenes  Alkyl aryl ethers  N-acyl amines  Vinylogous halides  Heteroaromatic compounds  Furans  Amino acids and derivatives  Oxacyclic compounds  Nitriles  Dialkylamines  Carboxylic acid amides  Organopnictogen compounds  Organochlorides  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Benzonitrile - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - N-acyl-amine - Heteroaromatic compound - Vinylogous halide - Furan - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD2 Tchem ATPase family AAA domain-containing protein 2 (598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 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 (95.53 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)
Peso molecular654.200 g/mol
XLogP35.900
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass653.313 Da
Monoisotopic Mass653.313 Da
Topological Polar Surface Area125.000 Ų
Heavy Atom Count47
Formal Charge0
Complexity1000.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
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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