WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H564194
CAS#: NONE
Description: Y06137 is a potent and selective BET inhibitor, targeting the BRD4(1) bromodomain.
Hodoodo Cat#: H564194
Name: Y06137
CAS#: NONE
Chemical Formula: C27H32N4O2
Exact Mass: 444.25
Molecular Weight: 444.580
Elemental Analysis: C, 72.94; H, 7.26; N, 12.60; O, 7.20
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Synonym: Y-06137; Y 06137; Y06137
IUPAC/Chemical Name: (S)-5-(1-(Cyclohexylmethyl)-6-(3-methylmorpholino)-1H-benzo[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: >3 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: 2934.99.03.00
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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 Apr 12;61(7):3037-3058. doi: 10.1021/acs.jmedchem.8b00103. Epub 2018 Apr 3. PubMed PMID: 29566488.