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ABBV-744 - 99%, high purity , CAS No.2138861-99-9

COA COA
In stock
Item Number
A414135
Grouped product items
SKU Size
Availability
 Price Qty
A414135-2mg
2mg
2
$56.90
A414135-5mg
5mg
2
$117.90
A414135-10mg
10mg
2
$187.90
A414135-25mg
25mg
2
$385.90
A414135-50mg
50mg
2
$543.90
A414135-100mg
100mg
2
$761.90
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Epigenetic Reader Domain Inhibitors

View related series
Anti-infection (2803) Epigenetic Reader Domain (314) Epigenetics (1496) HIV (254) Virus (1811)

Basic Description

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 Temp 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™
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Diphenylethers
Intermediate Tree Nodes Not available
Direct Parent Diphenylethers
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 Framework Aromatic 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
Description This 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

Product Properties

ALogP 4.36
hba_count 3
HBD Count 2
Rotatable Bond 6

Associated Targets(Human)

BRD4 Tchem Bromodomain-containing protein 4 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
BRDT Tchem Bromodomain testis-specific protein (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
BRD3 Tchem Bromodomain-containing protein 3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
BRD2 Tchem Bromodomain-containing protein 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1299 (3248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MV4-11 (7307 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD2 Tchem Bromodomain-containing protein 2 (1296 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD3 Tchem Bromodomain-containing protein 3 (1086 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SKM-1 (122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac1 Histone deacetylase 1 (93 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488202762
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488202762
IUPAC Name N-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
INCHI InChI=1S/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)
InChIKey OEDSFMUSNZDJFD-UHFFFAOYSA-N
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
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=

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 Number Certificate Type Date Item
A2329367 Certificate of Analysis Dec 01, 2022 A414135
A2329369 Certificate of Analysis Dec 01, 2022 A414135
A2329392 Certificate of Analysis Dec 01, 2022 A414135
A2329389 Certificate of Analysis Dec 01, 2022 A414135
A2329372 Certificate of Analysis Dec 01, 2022 A414135
A2329390 Certificate of Analysis Dec 01, 2022 A414135
A2329371 Certificate of Analysis Dec 01, 2022 A414135
A2329255 Certificate of Analysis Dec 01, 2022 A414135
A2329256 Certificate of Analysis Dec 01, 2022 A414135
A2329394 Certificate of Analysis Dec 01, 2022 A414135
A2329398 Certificate of Analysis Dec 01, 2022 A414135
A2329405 Certificate of Analysis Dec 01, 2022 A414135
C2520334 Certificate of Analysis Dec 01, 2022 A414135

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Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 98 mg/mL (199.36 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility 98
DMSO(mM) Max Solubility 199.369341877734
Water(mg / mL) Max Solubility ＜1
Molecular Weight 491.600 g/mol
XLogP3 3.900
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 491.222 Da
Monoisotopic Mass 491.222 Da
Topological Polar Surface Area 94.700 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 852.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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