MedKoo Cat#: 122396 | Name: BJG-05-039

Description:

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

BJG-05-039 is a PAK1-selective degrader consisting of NVS-PAK1-1 conjugated to lenalidomide, a recruiter of the E3 ubiquitin ligase substrate adaptor Cereblon. BJG-05-039 induced selective degradation of PAK1 and displayed enhanced antiproliferative effects relative to its parent compound in PAK1-dependent, but not PAK2-dependent, cell lines.

Chemical Structure

BJG-05-039
BJG-05-039
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122396

Name: BJG-05-039

CAS#: N/A

Chemical Formula: C41H44ClF3N8O5

Exact Mass: 820.3075

Molecular Weight: 821.30

Elemental Analysis: C, 59.96; H, 5.40; Cl, 4.32; F, 6.94; N, 13.64; O, 9.74

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
BJG05-039; BJG-05039; BJG05039
IUPAC/Chemical Name
(3S)-3-((2-chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)pyrrolidine-1-carboxamide
InChi Key
UZPKWEBZEBROEX-AYTRYJACSA-N
InChi Code
InChI=1S/C41H44ClF3N8O5/c42-24-10-12-31-28(20-24)37(49-30-21-25(43)11-13-32(30)52(31)23-34(44)45)48-26-16-19-51(22-26)41(58)47-18-6-4-2-1-3-5-17-46-29-9-7-8-27-36(29)40(57)53(39(27)56)33-14-15-35(54)50-38(33)55/h7-13,20-21,26,33-34,46H,1-6,14-19,22-23H2,(H,47,58)(H,48,49)(H,50,54,55)/t26-,33?/m0/s1
SMILES Code
O=C(N1C[C@@H](NC2=NC3=C(C=CC(F)=C3)N(CC(F)F)C4=C2C=C(Cl)C=C4)CC1)NCCCCCCCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O
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 821.30 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
Chow HY, Karchugina S, Groendyke BJ, Toenjes S, Hatcher J, Donovan KA, Fischer ES, Abalakov G, Faezov B, Dunbrack R, Gray NS, Chernoff J. Development and Utility of a PAK1-Selective Degrader. J Med Chem. 2022 Dec 8;65(23):15627-15641. doi: 10.1021/acs.jmedchem.2c00756. Epub 2022 Nov 23. PMID: 36416208.