MedKoo Cat#: 407897 | Name: Y06037

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

Y06037
Y06037
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 407897

Name: Y06037

CAS#: Unknown

Chemical Formula: C27H32N4O2

Exact Mass: 444.2525

Molecular Weight: 444.58

Elemental Analysis: C, 72.94; H, 7.26; N, 12.60; O, 7.20

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 444.58 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.

Recalculate based on batch purity %
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.