Y06036
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MedKoo CAT#: 407895

CAS#: 1832671-96-1

Description: Y06036 is a potent BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC). Y06036 bounds to the BRD4(1) bromodomain with Kd values of 82 nM. Y06036 also exhibited high selectivity over other non-BET subfamily members. Y06036 potently inhibited cell growth, colony formation, and the expression of AR, AR regulated genes, and MYC in prostate cancer cell lines. Y06036 also demonstrated therapeutic effects in a C4-2B CRPC xenograft tumor model in mice.


Chemical Structure

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Y06036
CAS# 1832671-96-1

Theoretical Analysis

MedKoo Cat#: 407895
Name: Y06036
CAS#: 1832671-96-1
Chemical Formula: C16H15BrN2O5S
Exact Mass: 425.9885
Molecular Weight: 427.269
Elemental Analysis: C, 44.98; H, 3.54; Br, 18.70; N, 6.56; O, 18.72; S, 7.50

Price and Availability

Size Price Availability Quantity
50.0mg USD 250.0 2 Weeks
100.0mg USD 450.0 2 Weeks
200.0mg USD 850.0 2 Weeks
500.0mg USD 1850.0 2 Weeks
1.0g USD 2950.0 2 Weeks
2.0g USD 4850.0 2 Weeks
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Synonym: Y06036; Y-06036; Y 06036.

IUPAC/Chemical Name: 5-Bromo-2-methoxy-N-(6-methoxy-3-methylbenzo[d]-isoxazol-5-yl)benzenesulfonamide

InChi Key: KVGNGFGTOSOVPB-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3

SMILES Code: O=S(C1=CC(Br)=CC=C1OC)(NC2=C(OC)C=C(ON=C3C)C3=C2)=O

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

Preparing Stock Solutions

The following data is based on the product molecular weight 427.269 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

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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.

Y06036

50.0mg / USD 250.0