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

CAS: 2138861-99-9 Cat. No.: A414135 Molecular Weight: 491.55
COA
ABBV-744 - Moligand™, ≥99% CAS No(2138861-99-9) by Aladdin Scientific
AVAILABLE TO ORDER
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
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2mg
A414135-2mg
2

$28.90

$43.90
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A414135-5mg
2

$62.90

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10mg
A414135-10mg
2

$112.90

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25mg
A414135-25mg
2

$194.90

$292.90
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50mg
A414135-50mg
2

$308.90

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100mg
A414135-100mg
2

$474.90

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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

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

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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.

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Literature proof

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

Overview

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

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
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2, BRD3 and BRD4. It is developed for treating AML and cancers.
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥99%
Product Properties
ALogP4.36
hba_count3
HBD Count2
Rotatable Bond6
Names and Identifiers
Pubchem Sid488202762
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488202762
Canonical SmilesCCNC(=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)
Isomeric 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
Molecular Weight 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.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
Associated Targets(non-human)
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
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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 TypeDateItem
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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Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 98 mg/mL (199.36 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility98
DMSO(mM) Max Solubility199.369341877734
Water(mg / mL) Max Solubility＜1
Molecular Weight491.600 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
Solution Calculators
Reviews

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