WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407897
Description: Y06037 is a potent BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC). Y06037 bounds to the BRD4(1) bromodomain with Kd values of 81 nM. Y06037 also exhibited high selectivity over other non-BET subfamily members. Y06037 potently inhibited cell growth, colony formation, and the expression of AR, AR regulated genes, and MYC in prostate cancer cell lines. Y06037 also demonstrated therapeutic effects in a C4-2B CRPC xenograft tumor model in mice.
MedKoo Cat#: 407897
Chemical Formula: C27H32N4O2
Exact Mass: 444.2525
Molecular Weight: 444.579
Elemental Analysis: C, 72.94; H, 7.26; N, 12.60; O, 7.20
Y06037 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to firstname.lastname@example.org to inquire quote.
Synonym: Y06037; Y-06037; Y 06037;
IUPAC/Chemical Name: (S)-5-(1-(Cyclohexylmethyl)-6-(3-methylmorpholino)-1Hbenzo[d]imidazol-2-yl)-3-methylbenzo[d]isoxazole
InChi Key: JYCNBHVRGVCHIQ-SFHVURJKSA-N
InChi Code: InChI=1S/C27H32N4O2/c1-18-17-32-13-12-30(18)22-9-10-24-25(15-22)31(16-20-6-4-3-5-7-20)27(28-24)21-8-11-26-23(14-21)19(2)29-33-26/h8-11,14-15,18,20H,3-7,12-13,16-17H2,1-2H3/t18-/m0/s1
SMILES Code: CC1=NOC2=CC=C(C3=NC4=CC=C(N5[C@@H](C)COCC5)C=C4N3CC6CCCCC6)C=C12
The following data is based on the product molecular weight 444.579 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Zhang M, Zhang Y, Song M, Xue X, Wang J, Wang C, Zhang C, Li C, Xiang Q, Zou
L, Wu X, Wu C, Dong B, Xue W, Zhou Y, Chen H, Wu D, Ding K, Xu Y. Structure-Based
Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and
Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate
Cancer (CRPC). J Med Chem. 2018 Mar 22. doi: 10.1021/acs.jmedchem.8b00103. [Epub
ahead of print] PubMed PMID: 29566488.