Description
Key facts
CAS number:1268524-70-4,
Purity:>99%,
Form:LiquidSee storage information,
Molecular weight:457 Da,
Molecular formula:C23H25ClN4O2S,
PubChem:46907787,
Nature:Synthetic,
Biochemical name:(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate,
Biological description:Potent, selective and cell-permeable BET bromodomain inhibitor (Kd values are 50 and 90 nM at BRD4 first and second bromodomains, respectively).,
Canonical smiles:CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C,
Isomeric smiles:CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C,
InChi:InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1,
InChiKey:DNVXATUJJDPFDM-KRWDZBQOSA-N,
IUPAC Name:tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C, Storage information-Store in the dark, Store under desiccating conditions, This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes
Supplementary Information:
This supplementary information is collated from multiple sources and compiled automatically.
CREBBP also known as CBP BRD2 BRDT BRD3 and Brd4 are key proteins that function as transcriptional co-activators and acetyltransferases. CREBBP has a molecular mass of about 265 kDa and is expressed in multiple tissues such as the brain lungs and immune cells. It contains a bromodomain which enables it to bind acetylated lysines on histone tails influencing chromatin structure and transcription. BRD2 BRD3 BRDT and Brd4 collectively known as BET (bromodomain and extra-terminal domain) proteins weigh between 75 and 100 kDa and are mainly expressed in the nucleus participating in the regulation of transcription by recognizing acetylated histones.
Biological function summary
These proteins play significant roles in transcriptional regulation and chromatin remodeling. CREBBP exists as part of a transcriptional co-activator complex modifying chromatin structure to facilitate transcription factor binding. BRD2 BRD3 BRDT and Brd4 through their bromodomains recognize and bind acetylated lysines on histones recruiting transcriptional complexes to specific gene promoters. These actions impact gene expression critical for cell cycle progression differentiation and apoptosis.
Pathways
These proteins integrate into large transcriptional and signaling frameworks. They are vital participants in the Notch and Wnt signaling pathways. CREBBP interacts with proteins like p300 functioning in histone acetylation and gene transcription activation. BET proteins such as Brd4 associate with transcription factors and mediate cell cycle transitions by regulating cyclin and c-myc expression. Their roles in these pathways underline their importance in cellular proliferation and development.
Both CREBBP and BET proteins implicate important roles in various conditions including cancer and neurological disorders. CREBBP mutations associate with Rubinstein-Taybi syndrome characterized by developmental abnormalities. Additionally BET proteins like Brd4 show strong connections to cancer by promoting oncogene expression and are targets for bromodomain inhibitors like JQ1. BET inhibitors including JQ1 show promising results in therapeutic strategies for diseases involving dysregulated transcription impacting both oncogenesis and metabolic disorders.
