ABBV-744 - Moligand™, ≥99% , CAS No.2138861-99-9

CAS: 2138861-99-9 Cat. No.: A414135 Peso molecular: 491.55
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. ≥99%
Synonyms
AC-36257 | N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide | s8723 | NCGC00651745-01 | US10633379, Example 35 | HY-112090 | GTPL10730 | BA166477 | AS-14711 | BCP29855
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
2mg
A414135-2mg
2

28,90US$

43,90US$
Guardar 15,00 US$ (34.17%)
5mg
A414135-5mg
2

62,90US$

94,90US$
Guardar 32,00 US$ (33.72%)
10mg
A414135-10mg
2

112,90US$

169,90US$
Guardar 57,00 US$ (33.55%)
25mg
A414135-25mg
2

194,90US$

292,90US$
Guardar 98,00 US$ (33.46%)
50mg
A414135-50mg
2

308,90US$

463,90US$
Guardar 155,00 US$ (33.41%)
100mg
A414135-100mg
2

474,90US$

712,90US$
Guardar 238,00 US$ (33.38%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at -20°C,Argon charged 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.

📚

Literature proof

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

Descripción general

Information

ABBV-744 ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2, BRD3 and BRD4. It is developed for treating AML and cancers.


Targets

BDII


In vitro

ABBV-744 is a potent inhibitor specific for BDII of BRD2/3/4, with >250-fold differential binding preference for BDII over BDI and excellent drug-like properties. ABBV-744 is also a potent and selective inhibitor of the AR (androgen receptor) transcription pathway.


In vivo

doses of ABBV-744 at fractions of its maximum tolerated dose (MTD) induces tumor growth inhibition in AML and prostate cancer xenograft models that were comparable to those observed with ABBV-075 when dosed at its MTD.

Specifications

Sinónimos
AC-36257 | N-ethyl-4-[2-(4-fluoro-2, 6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H, 6H, 7H-pyrrolo[2, 3-c]pyridine-2-carboxamide | s8723 | NCGC00651745-01 | US10633379, Example 35 | HY-112090 | GTPL10730 | BA166477 | AS-14711 | BCP29855
Especificaciones y pureza
Moligand™, ≥99%
Mecanismos bioquímicos y fisiológicos
ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2, BRD3 and BRD4. It is developed for treating AML and cancers.
Condiciones de almacenamiento de almacenamiento
Store at -20°C, Argon charged
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥99%
Propiedades del producto
ALogP4.36
hba_count3
Recuento HBD2
Enlace rotable6
Nombres e identificadores
Pubchem Sid488202762
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488202762
Sonrisas canónicasCCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C
IUPAC NameN-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
InChIKeyOEDSFMUSNZDJFD-UHFFFAOYSA-N
INCHI1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
Isómeros SMILES CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C
Peso molecular 491.55
Reaxy-Rn 31981858
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31981858&ln=

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
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Phenylpyridines  Diarylethers  Pyrrolopyridines  Pyridinecarboxamides  Phenylpropanes  m-Xylenes  Pyrrole carboxamides  Phenoxy compounds  Phenol ethers  2-heteroaryl carboxamides  Pyridinones  Fluorobenzenes  Substituted pyrroles  Aryl fluorides  Tertiary alcohols  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diphenylether - 3-phenylpyridine - Diaryl ether - Pyrrolopyridine - Pyridinecarboxamide - Phenylpropane - 2-heteroaryl carboxamide - Phenoxy compound - M-xylene - Xylene - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Phenol ether - Pyridinone - Halobenzene - Fluorobenzene - Substituted pyrrole - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
BRD4 Tchem Bromodomain-containing protein 4 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRDT Tchem Bromodomain testis-specific protein (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRD3 Tchem Bromodomain-containing protein 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRD2 Tchem Bromodomain-containing protein 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
NCI-H1299 (3248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD2 Tchem Bromodomain-containing protein 2 (1296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD3 Tchem Bromodomain-containing protein 3 (1086 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SKM-1 (122 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
HEK-293T (167025 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
Hdac1 Histone deacetylase 1 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot NumberCertificate TypeFechaArticulo
A2329405Certificate of AnalysisNov 06, 2025 A414135
A2329398Certificate of AnalysisNov 06, 2025 A414135
A2329394Certificate of AnalysisNov 06, 2025 A414135
A2329392Certificate of AnalysisNov 06, 2025 A414135
A2329390Certificate of AnalysisNov 06, 2025 A414135
A2329389Certificate of AnalysisNov 06, 2025 A414135
A2329372Certificate of AnalysisNov 06, 2025 A414135
A2329371Certificate of AnalysisNov 06, 2025 A414135
A2329369Certificate of AnalysisNov 06, 2025 A414135
A2329367Certificate of AnalysisNov 06, 2025 A414135
A2329256Certificate of AnalysisNov 06, 2025 A414135
A2329255Certificate of AnalysisNov 06, 2025 A414135
C2520334Certificate of AnalysisDec 01, 2022 A414135

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Propiedades químicas y físicas
SolubilidadSolubility (25°C) In vitro DMSO: 98 mg/mL (199.36 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO (mg/ml) Solubilidad máxima98
DMSO (mM) Solubilidad máxima199.369341877734
Agua (mg/ml) Solubilidad máxima<1
Peso molecular491.600 g/mol
XLogP33.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass491.222 Da
Monoisotopic Mass491.222 Da
Topological Polar Surface Area94.700 Ų
Heavy Atom Count36
Formal Charge0
Complexity852.000
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
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