Details
Stereochemistry | ACHIRAL |
Molecular Formula | 3C18H33O2.Fe |
Molecular Weight | 900.205 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 3 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
InChI
InChIKey=HOIQWTMREPWSJY-GNOQXXQHSA-K
InChI=1S/3C18H34O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*10-9-;
Molecular Formula | C18H33O2 |
Molecular Weight | 281.4534 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | Fe |
Molecular Weight | 55.845 |
Charge | 3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/26059262 | https://www.ncbi.nlm.nih.gov/pubmed/25989427https://www.ncbi.nlm.nih.gov/pubmed/24947938 | http://glixxlabs.com/chemical-products/bioactive-screen-leads_p5/GLXC-03532 | https://www.axonmedchem.com/product/2339https://www.ncbi.nlm.nih.gov/pubmed/24260783https://link.springer.com/article/10.1023%2FB%3APHAC.0000008252.69981.48https://www.ncbi.nlm.nih.gov/pubmed/21970321https://www.ncbi.nlm.nih.gov/pubmed/24068666 | https://www.ncbi.nlm.nih.gov/pubmed/24795896https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inlinehttps://www.google.com/patents/WO2007053452A1https://www.axonmedchem.com/product/1735 | https://patents.google.com/patent/WO2009149508A1/enhttps://www.ncbi.nlm.nih.gov/pubmed/20427474https://www.ncbi.nlm.nih.gov/pubmed/26169470http://www.thesgc.org/chemical-probes/BAY-299 | https://www.ncbi.nlm.nih.gov/pubmed/27911230Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24169304
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26059262 | https://www.ncbi.nlm.nih.gov/pubmed/25989427https://www.ncbi.nlm.nih.gov/pubmed/24947938 | http://glixxlabs.com/chemical-products/bioactive-screen-leads_p5/GLXC-03532 | https://www.axonmedchem.com/product/2339https://www.ncbi.nlm.nih.gov/pubmed/24260783https://link.springer.com/article/10.1023%2FB%3APHAC.0000008252.69981.48https://www.ncbi.nlm.nih.gov/pubmed/21970321https://www.ncbi.nlm.nih.gov/pubmed/24068666 | https://www.ncbi.nlm.nih.gov/pubmed/24795896https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inlinehttps://www.google.com/patents/WO2007053452A1https://www.axonmedchem.com/product/1735 | https://patents.google.com/patent/WO2009149508A1/enhttps://www.ncbi.nlm.nih.gov/pubmed/20427474https://www.ncbi.nlm.nih.gov/pubmed/26169470http://www.thesgc.org/chemical-probes/BAY-299 | https://www.ncbi.nlm.nih.gov/pubmed/27911230
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24169304
BAY-299 is a potent and selective BRD1 and TAF1 inhibitor (IC50 values are 6 and 13 nM, respectively). BAY-299 is selective over other bromodomains; >30-fold selective over the other members of the BRPF family, >30-fold selective over close neighbours BRD9 and ATAD2 and >300-fold selective over BRD4. BAY-299 has <1uM activity in the BRD1 and TAF1 NanoBRETâ„¢ cell assays.
CNS Activity
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24947938http://www.google.com/patents/US20130123344Journal of the Chemical Society, Transactions, Volume 33, Pages 80-88, Journal, 1878https://www.google.com/patents/WO2003080610A1https://www.ncbi.nlm.nih.gov/pubmed/24068666https://etd.ohiolink.edu/!etd.send_file?accession=ucin1406810785&disposition=inlinehttps://www.google.com/patents/WO2007053452A1https://patents.google.com/patent/WO2009149508A1/enhttps://www.ncbi.nlm.nih.gov/pubmed/20427474https://www.ncbi.nlm.nih.gov/pubmed/19001433http://www.thesgc.org/chemical-probes/BAY-299 | https://www.ncbi.nlm.nih.gov/pubmed/27911230
Curator's Comment: # Bristol-Myers Squibb
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2971 |
|||
Target ID: CHEMBL2971 |
|||
Target ID: CHEMBL4237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15955699 |
0.5 nM [IC50] | ||
Target ID: CHEMBL3836 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19001433 |
5.0 nM [IC50] | ||
Target ID: CHEMBL5932 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19001433 |
6.0 nM [IC50] | ||
Target ID: CHEMBL1293226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24260783 |
920.0 nM [IC50] | ||
Target ID: CHEMBL1974 |
0.5 nM [IC50] | ||
Target ID: CHEMBL3778 |
0.5 nM [IC50] | ||
Target ID: CHEMBL2176774 Sources: http://www.thesgc.org/chemical-probes/BAY-299 |
6.0 nM [IC50] | ||
Target ID: CHEMBL3217390 Sources: http://www.thesgc.org/chemical-probes/BAY-299 |
13.0 nM [IC50] | ||
Target ID: CHEMBL260 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20427474 |
|||
Target ID: CHEMBL4633 |
50.0 nM [IC50] | ||
Target ID: CHEMBL5251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666 |
0.5 nM [IC50] | ||
Target ID: CHEMBL3834 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666 |
0.9 nM [IC50] | ||
Target ID: CHEMBL4246 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24068666 |
1.2 nM [IC50] | ||
Target ID: Q92993|||Q9BWK7 Gene ID: 10524.0 Gene Symbol: KAT5 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24947938 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
|||
Primary | Dobrocam Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity. | 2010 |
|
Reactivity of endo-3-bromocamphor with sulfur-centered nucleophiles by an electron transfer mechanism. Electrophilic behaviour of the 3-camphoryl radical. | 2011 Apr 21 |
|
Characterization of the cellular action of the MSK inhibitor SB-747651A. | 2012 Jan 1 |
|
Crosstalk between epigenetic readers regulates the MOZ/MORF HAT complexes. | 2014 Feb |
|
Rational design and validation of a Tip60 histone acetyltransferase inhibitor. | 2014 Jun 20 |
|
Synthesis of phase-pure and monodisperse iron oxide nanoparticles by thermal decomposition. | 2015 Jul 7 |
|
Coat Protein-Dependent Behavior of Poly(ethylene glycol) Tails in Iron Oxide Core Virus-like Nanoparticles. | 2015 Jun 10 |
|
PKA-dependent phosphorylation of LIMK1 and Cofilin is essential for mouse sperm acrosomal exocytosis. | 2015 Sep 15 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:30:32 GMT 2023
by
admin
on
Fri Dec 15 15:30:32 GMT 2023
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Record UNII |
C1NE1661VN
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Record Status |
Validated (UNII)
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Record Version |
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-
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C1NE1661VN
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112238
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1120-45-2
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14009126
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214-309-5
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23335-74-2
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NON-SPECIFIC STOICHIOMETRY |
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PARENT -> SALT/SOLVATE |