MedKoo Cat#: 128898 | Name: BWA-6047

Description:

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

BWA-6047 is a Dual AR/AR-V7 and GSPT1 Degrader. BWA-6047 exhibited potent protein degradation in 22Rv1 cells (AR: DC50 = 3.7 nM, Dmax = 90%; AR-V7: DC50 = 3.0 nM, Dmax = 93%; GSPT1: DC50 = 1.2 nM, Dmax = 94%). Mechanism experiments indicate that BWA-6047 functions as both PROTAC and molecular glue to degrade target proteins. Oral administration of BWA-6047 at 20 mpk significantly inhibited LNCaP xenograft tumor growth in mice without obvious toxicity.

Chemical Structure

BWA-6047
BWA-6047
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128898

Name: BWA-6047

CAS#: N/A

Chemical Formula: C42H46ClN5O7

Exact Mass: 767.3086

Molecular Weight: 768.31

Elemental Analysis: C, 65.66; H, 6.04; Cl, 4.61; N, 9.12; O, 14.58

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
BWA-6047; BWA6047; BWA 6047
IUPAC/Chemical Name
3-chloro-2-((1-(6-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)amino)hexanoyl)piperidin-4-yl)methoxy)-5-(2-(4-methoxyphenyl)propan-2-yl)benzonitrile
InChi Key
SIYSHWXKMSVKEH-UHFFFAOYSA-N
InChi Code
InChI=1S/C42H46ClN5O7/c1-42(2,28-8-11-31(54-3)12-9-28)29-21-27(24-44)38(34(43)22-29)55-25-26-16-19-47(20-17-26)37(50)7-5-4-6-18-45-30-10-13-32-33(23-30)41(53)48(40(32)52)35-14-15-36(49)46-39(35)51/h8-13,21-23,26,35,45H,4-7,14-20,25H2,1-3H3,(H,46,49,51)
SMILES Code
COC1=CC=C(C(C)(C)C2=CC(Cl)=C(OCC3CCN(C(CCCCCNC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C(C#N)=C2)C=C1
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 768.31 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
Rational Design of Dual Degraders by Incorporating Molecular Glue Structural Features into PROTAC Degraders Bowen Zhang, Shan Gao, Tingting Wu, Yan Ma, Senbiao Fang, Mengyan Rong, Wenrui Jia, Sai Zhang, Hui Hou, Xiao Wang, Siqi Zhang, and Chong Qin Journal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.5c00443