PROTAC BRD4 Degrader-5-CO-PEG3-N3 (Compound 2) is a PROTAC-linker Conjugate for PAC, comprises the BRD4 degrader GNE-987 and PEG-based linker.

Product information

Molecular Weight: 1231.87

Formula: C58H75ClN12O12S2

Chemical Name: (3R, 5S)-1-[(2S)-2-(2-{2-[2-(2-{2-[(9S)-7-(4-chlorophenyl)-4, 5, 13-trimethyl-3-thia-1, 8, 11, 12-tetraazatricyclo[8.3.0.0, ]trideca-2(6), 4, 7, 10, 12-pentaen-9-yl]acetamido}ethoxy)ethoxy]ethoxy}acetamido)-3, 3-dimethylbutanoyl]-5-{[(1S)-1-[4-(4-methyl-1, 3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-3-yl 2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}acetate

Smiles: C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(C2=C(SC(C)=C2C)N2C1=NN=C2C)C1C=CC(Cl)=CC=1)C(C)(C)C)OC(=O)COCCOCCOCCN=[N+]=[N-])C1C=CC(=CC=1)C1SC=NC=1C

InChiKey: WMOYJXQCSDGERS-WVLZNWKQSA-N

InChi: InChI=1S/C58H75ClN12O12S2/c1-35-38(4)85-57-50(35)51(41-13-15-43(59)16-14-41)65-45(54-68-67-39(5)71(54)57)30-47(72)61-17-19-77-21-23-79-25-27-81-32-48(73)66-53(58(6,7)8)56(76)70-31-44(83-49(74)33-82-28-26-80-24-22-78-20-18-63-69-60)29-46(70)55(75)64-36(2)40-9-11-42(12-10-40)52-37(3)62-34-84-52/h9-16,34,36,44-46,53H,17-33H2,1-8H3,(H,61,72)(H,64,75)(H,66,73)/t36-,44+,45-,46-,53+/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 20 mg/mL (16.24 mM; Need ultrasonic)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Marı A Maneiro, et al. Antibody-PROTAC Conjugates Enable HER2-Dependent Targeted Protein Degradation of BRD4. ACS Chem Biol. 2020 Jun 19;15(6):1306-1312.

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