OXF BD 02Selective BRD4(1) inhibitor CAS# 1429129-68-9 |
- Daptomycin
Catalog No.:BCC1057
CAS No.:103060-53-3
- Nelarabine
Catalog No.:BCC1072
CAS No.:121032-29-9
- Gemcitabine HCl
Catalog No.:BCC1076
CAS No.:122111-03-9
- Clofarabine
Catalog No.:BCC1078
CAS No.:123318-82-1
- Ifosfamide
Catalog No.:BCC1164
CAS No.:3778-73-2
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 1429129-68-9 | SDF | Download SDF |
| PubChem ID | 56929801 | Appearance | Powder |
| Formula | C18H17NO3 | M.Wt | 295.33 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in DMSO and to 10 mM in ethanol with gentle warming | ||
| Chemical Name | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenol | ||
| SMILES | CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CC=CC=C3)O | ||
| Standard InChIKey | FEQUIPXIENTMJN-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
||
| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
||
| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Selective inhibitor of the first bromodomain of BRD4 (BRD4(1)) (IC50 = 382 nM). Exhibits 2-3-fold selectivity for BRD4(1) over the CBP bromodomain and has little affinity for a range of other bromodomains. Reduces viability of lung adenocarcinoma cell lines and attenuates proliferation of MV-4-11 leukemia cells. Cell permeable. |
OXF BD 02 Dilution Calculator
OXF BD 02 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.386 mL | 16.9302 mL | 33.8604 mL | 67.7209 mL | 84.6511 mL |
| 5 mM | 0.6772 mL | 3.386 mL | 6.7721 mL | 13.5442 mL | 16.9302 mL |
| 10 mM | 0.3386 mL | 1.693 mL | 3.386 mL | 6.7721 mL | 8.4651 mL |
| 50 mM | 0.0677 mL | 0.3386 mL | 0.6772 mL | 1.3544 mL | 1.693 mL |
| 100 mM | 0.0339 mL | 0.1693 mL | 0.3386 mL | 0.6772 mL | 0.8465 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
Calcutta University
University of Minnesota
University of Maryland School of Medicine
University of Illinois at Chicago
The Ohio State University
University of Zurich
Harvard University
Colorado State University
Auburn University
Yale University
Worcester Polytechnic Institute
Washington State University
Stanford University
University of Leipzig
Universidade da Beira Interior
The Institute of Cancer Research
Heidelberg University
University of Amsterdam
University of Auckland
TsingHua University
The University of Michigan
Miami University
DRURY University
Jilin University
Fudan University
Wuhan University
Sun Yat-sen University
Universite de Paris
Deemed University
Auckland University
The University of Tokyo
Korea University
- Petunidin chloride
Catalog No.:BCN3018
CAS No.:1429-30-7
- 8alpha-Methacryloyloxy-13-ethoxyvernojalcanolide
Catalog No.:BCN7445
CAS No.:142891-14-3
- 1-O-Ethylpiptocarphin F
Catalog No.:BCN6448
CAS No.:142891-12-1
- GM 6001
Catalog No.:BCC2119
CAS No.:142880-36-2
- U 73343
Catalog No.:BCC8091
CAS No.:142878-12-4
- Toddacoumaquinone
Catalog No.:BCN3640
CAS No.:142878-03-3
- N-Acetyl-N-acetoxy-4-chlorobenzenesulfonamide
Catalog No.:BCC6762
CAS No.:142867-52-5
- Clausine D
Catalog No.:BCN4707
CAS No.:142846-95-5
- L-Sulforaphane
Catalog No.:BCN8449
CAS No.:142825-10-3
- Clinopodiside A
Catalog No.:BCN2621
CAS No.:142809-89-0
- Preapiodionene
Catalog No.:BCN1854
CAS No.:142808-39-7
- Apiodionene
Catalog No.:BCN1829
CAS No.:142808-38-6
- Mutant IDH1 inhibitor
Catalog No.:BCC4144
CAS No.:1429180-08-4
- Triptoquinone B
Catalog No.:BCN6238
CAS No.:142937-50-6
- Triptoquinone A
Catalog No.:BCN6781
CAS No.:142950-86-5
- HPOB
Catalog No.:BCC5574
CAS No.:1429651-50-2
- UNC2025
Catalog No.:BCC8062
CAS No.:1429881-91-3
- Fmoc-D-Phe(4-Cl)-OH
Catalog No.:BCC3177
CAS No.:142994-19-2
- Fmoc-D-Ala(3-pyridyl)-OH.HCl
Catalog No.:BCC3324
CAS No.:142994-45-4
- Salvianolic acid E
Catalog No.:BCN8194
CAS No.:142998-46-7
- Salvianolic acid D
Catalog No.:BCN2369
CAS No.:142998-47-8
- Lauric acid
Catalog No.:BCN2635
CAS No.:143-07-7
- Protoveratrine A
Catalog No.:BCN5346
CAS No.:143-57-7
- Vinblastine Sulfate
Catalog No.:BCN2292
CAS No.:143-67-9
Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.[Pubmed:23517011]
J Med Chem. 2013 Apr 25;56(8):3217-27.
The bromodomain protein module, which binds to acetylated lysine, is emerging as an important epigenetic therapeutic target. We report the structure-guided optimization of 3,5-dimethylisoxazole derivatives to develop potent inhibitors of the BET (bromodomain and extra terminal domain) bromodomain family with good ligand efficiency. X-ray crystal structures of the most potent compounds reveal key interactions required for high affinity at BRD4(1). Cellular studies demonstrate that the phenol and acetate derivatives of the lead compounds showed strong antiproliferative effects on MV4;11 acute myeloid leukemia cells, as shown for other BET bromodomain inhibitors and genetic BRD4 knockdown, whereas the reported compounds showed no general cytotoxicity in other cancer cell lines tested.
3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands.[Pubmed:21851057]
J Med Chem. 2011 Oct 13;54(19):6761-70.
Histone-lysine acetylation is a vital chromatin post-translational modification involved in the epigenetic regulation of gene transcription. Bromodomains bind acetylated lysines, acting as readers of the histone-acetylation code. Competitive inhibitors of this interaction have antiproliferative and anti-inflammatory properties. With 57 distinct bromodomains known, the discovery of subtype-selective inhibitors of the histone-bromodomain interaction is of great importance. We have identified the 3,5-dimethylisoxazole moiety as a novel acetyl-lysine bioisostere, which displaces acetylated histone-mimicking peptides from bromodomains. Using X-ray crystallographic analysis, we have determined the interactions responsible for the activity and selectivity of 4-substituted 3,5-dimethylisoxazoles against a selection of phylogenetically diverse bromodomains. By exploiting these interactions, we have developed compound 4d, which has IC(50) values of <5 muM for the bromodomain-containing proteins BRD2(1) and BRD4(1). These compounds are promising leads for the further development of selective probes for the bromodomain and extra C-terminal domain (BET) family and CREBBP bromodomains.
