Description
Key facts
CAS number:1300031-49-5,
Purity:>98%,
Form:SolidSee storage information,
Molecular weight:415.4 Da,
Molecular formula:C23H21N5O3,
PubChem:52912189,
Nature:Synthetic,
Solubility:DMSO (100 mM)Ethanol (100 mM),
Biochemical name:7-(3,5-Dimethylisoxazol-4-yl)-8-methoxy-1-((R)-1-(pyridin-2-yl)ethyl)-1H-imidazo[4,5-c]quinolin-2(3H)-one,
Biological description:I-BET151 is an isoxazole class pan-BET family inhibitor, blocking BRD2, BRD3 and BRD4 with IC50 values of 0.5, 0.25 and 0.79 μM, respectively. Specifically, I-BET151 induces apoptosis via reduced expression of BCL2 or triggers G0/G1 cell cycle arrest in MLL-fusion cell lines.,
Canonical smiles:CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)C(C)C5=CC=CC=N5)OC,
Isomeric smiles:CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC,
InChi:InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1,
InChiKey:VUVUVNZRUGEAHB-CYBMUJFWSA-N,
IUPAC Name:7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one
Properties and Storage Information:
Shipped at conditions-Blue Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
Supplementary Information:
This supplementary information is collated from multiple sources and compiled automatically.
CREBBP also known as CBP is a transcriptional coactivator with intrinsic histone acetyltransferase activity essential for regulating gene expression. Its molecular mass is approximately 265 kDa. CREBBP is expressed in various tissues including the brain heart and lungs and acts as a scaffold for other transcription factors modulating their activity. Interferon beta (IFN-β) a type of cytokine is an important mediator of the immune response. Cytochrome P450 3A4 frequently known as CYP3A4 is a critical enzyme responsible for the metabolism of many xenobiotics and is mainly expressed in the liver. BRD2 BRD3 and Brd4 part of the BET (bromodomain and extra-terminal domain) family act as transcriptional regulators. PDE4B is an enzyme involved in the breakdown of cAMP and HLA B a gene encoding an MHC class I molecule plays a significant role in immune function.
Biological function summary
CREBBP facilitates acetylation of histones influencing chromatin structure and gene transcription. It acts within a multifunctional protein complex involving histone deacetylases and methyltransferases interacting with other transcriptional regulators such as BRD4. CYP3A4 metabolizes various drugs aiding in detoxification processes. BRD proteins including BRD2 and BRD3 modulate transcription impacting cell cycle progression and inflammation. PDE4B regulates intracellular cAMP levels affecting signal transduction. Interferon beta acts by inducing the expression of IFN-stimulated genes controlling antiviral responses. HLA B is essential in immune surveillance presenting antigenic peptides to T cells.
Pathways
CREBBP is an integral part of the transcriptional regulation pathway where it influences the activity of other transcription factors like NF-kB. Its activity intersects with signaling pathways involving BRD proteins. CYP3A4 plays an important role in the metabolic pathway of drug detoxification and interacts with other P450 enzymes such as CYP2C9. BRD proteins including BRD4 are linked with the transcriptional pathway regulating genes associated with inflammation and cancer. PDE4B modulates signaling pathways involving cAMP influencing cellular responses. Interferon beta is part of the JAK-STAT signaling pathway important for antiviral defense. HLA B's role in antigen presentation ties it to immune response pathways particularly in adaptive immunity.
CREBBP mutations or dysfunctions associate with disorders like Rubinstein-Taybi Syndrome. Dysregulation in pathways involving CREBBP and BRD4 connects to cancer. Altered CYP3A4 activity impacts drug metabolism and is relevant in drug-induced liver injury and variability in drug efficacy. BRD2 and BRD3 abnormalities relate to cancer dynamics. PDE4B has implications in inflammatory diseases such as asthma. Interferon beta is significant in autoimmune disorders like multiple sclerosis where its modulation of immune responses impacts disease progression. HLA B association with autoimmune diseases like psoriasis involves antigen presentation and T cell activation illustrating its role in immune-mediated disorders.
