(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

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(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide Basic information
Product Name:(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
Synonyms:(2S，4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)Benzoyl]-1Hpyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazole-5-yl)pyrrolidin-2-carboxylic acid amide;(2S,4R)-1-((S)-2-(2-(4-(4-(3-(2,6-Difluoro-3-(propylsulfonamido)benzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide;SJF 0628;(2S,4R)-1-[(2S)-2-[[2-[4-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide;(2S，4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-Difluoro-3-(propanesulfonylamino)-benzoyl]-1hpyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-thiazol-5-yl)-pyrrolidin-2-carboxamide
CAS:2413035-41-1
MF:C51H57F2N9O7S2
MW:1010.19
EINECS:
Product Categories:
Mol File:2413035-41-1.mol
(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide Structure
(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide Chemical Properties
density 1.368±0.06 g/cm3(Predicted)
solubility DMSO:101.02(Max Conc. mg/mL);100.0(Max Conc. mM)
pka6.29±0.10(Predicted)
form Solid
color Off-white to light yellow
Safety Information
MSDS Information
(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide Usage And Synthesis
UsesSJF-0628 (compound 512) is a PROTAC RAF degrader. SJF-0628 induces targeted degradation of BRAF mutants (DC50: 5.4 nM, 4.64 nM, 15.5 nM, 2.11 nM, 63.9 nM for BRAF V600E, V600K, G464V, G469A, K601E respectively). SJF-0628 has anti-tumor activity. SJF-0628 can be used for research of disorders that result from aggregation or accumulation of RAF, or the constitutive activation of RAF[1].
storageStore at -20°C
References[1] Andrew P. Crew, et al. Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides. Patent. US 20200129627 A1.
[2] Chapdelaine AG, et al. The Targeted Degradation of BRAF V600E Reveals the Mechanisms of Resistance to BRAF-Targeted Treatments in Colorectal Cancer Cells. Cancers (Basel). 2023 Dec 12;15(24):5805. DOI:10.3390/cancers15245805
(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide Preparation Products And Raw materials
Tag:(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide(2413035-41-1) Related Product Information
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