Name: CMP 98
Brand: BOC Sciences
Rating: 5 (1 reviews)

Purity

≥98%

ShelfLife

2 years

Storage

-20°C

IUPACName

(2S,4S)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Synonyms

N1,N20-bis((S)-1-((2S,4S)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-3,6,9,12,15,18-hexaoxaicosanediamide; N,N'-Bis{(2S)-1-[(2S,4S)-4-hydroxy-2-{[4-(4-methyl-1,3-thiazol-5-yl)benzyl]carbamoyl}-1-pyrrolidinyl]-3,3-dimethyl-1-oxo-2-butanyl}-3,6,9,12,15,18-hexaoxaicosane-1,20-diamide; CMP98; CMP-98

Boiling Point

1293.3±65.0°C at 760 Torr

Density

1.266±0.06 g/cm3

InChI Key

WGJCHHJGGFCCRS-NFXWONMQSA-N

InChI

InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12-40)50-38(2)62-36-82-50/h9-16,35-36,43-46,51-52,67-68H,17-34H2,1-8H3,(H,59,71)(H,60,72)(H,63,69)(H,64,70)/t43-,44-,45-,46-,51+,52+/m0/s1

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)O

Mechanism

Target: CMP 98 contains two VHL ligands and lacks a productive degradation target.

Binding site: Its VHL ligands bind the hydroxyproline-recognition pocket within VHL’s substrate-recognition domain.

Mechanism of action: CMP 98 is a bivalent VHL ligand-based PROTAC-related control compound that does not efficiently induce VHL degradation. It links two von Hippel-Lindau ligands through their active domains, providing a chemically relevant comparator for VHL-directed homo-PROTAC studies such as CM11. Because CMP 98 lacks productive degradation activity, it is useful for distinguishing specific target-depletion phenotypes from nonspecific effects caused by linker architecture, VHL ligand exposure, or cellular compound treatment. In targeted protein degradation workflows, CMP 98 supports control experiments assessing VHL engagement, assay background, and degradation-dependent interpretation.

Applications

• PROTAC-Mediated Protein Degradation: CMP 98 is utilized in research to facilitate the selective degradation of target proteins. By harnessing the cell's ubiquitin-proteasome system, CMP 98 enables the study of protein function and regulation, offering insights into cellular mechanisms and potential therapeutic targets.

• Targeted Degradation in Oncology: Researchers employ CMP 98 to investigate the degradation of oncogenic proteins. This approach aids in understanding cancer pathogenesis and exploring innovative therapeutic strategies by selectively removing proteins that drive tumor growth and survival.

• PROTAC Technology in Drug Discovery: CMP 98 serves as a valuable tool in drug discovery, allowing scientists to explore the degradation of disease-related proteins. By targeting specific proteins for degradation, CMP 98 supports the identification of novel drug targets and the development of next-generation therapeutics.

• Functional Protein Knockdown Studies: CMP 98 is applied in functional studies to achieve protein knockdown, offering an alternative to traditional genetic knockouts. This enables researchers to dissect protein roles in various biological processes with precision and temporal control.

1. Refinement of Computational Access to Molecular Physicochemical Properties: From Ro5 to bRo5

Matteo Rossi Sebastiano, Diego Garcia Jimenez, Maura Vallaro, Giulia Caron, Giuseppe Ermondi J Med Chem. 2022 Sep 22;65(18):12068-12083.doi: 10.1021/acs.jmedchem.2c00774.Epub 2022 Sep 12.

There is a need of computational tools to rank bRo5 drug candidates in the very early phases of drug discovery when chemical matter is unavailable. In this study, we selected three compounds: (a) a Ro5 drug (Pomalidomide), (b) a bRo5 orally available drug (Saquinavir), and (c) a polar PROTAC (CMP 98) to focus on computational access to physicochemical properties. To provide a benchmark, the three compounds were first experimentally characterized for their lipophilicity, polarity, IMHBs, and chameleonicity. To reproduce the experimental information content, we generated conformer ensembles with conformational sampling and molecular dynamics in both water and nonpolar solvents. Then we calculated Rgyr, 3D PSA, and IMHB number. An innovative pool of strategies for data analysis was then provided. Overall, we report a contribution to close the gap between experimental and computational methods for characterizing bRo5 physicochemical properties.

2. Does Calcium Hydroxide Reduce Endotoxins in Infected Root Canals? Systematic Review and Meta-analysis

Natália Rocha Bedran, Patricia Nadelman, Marcela Baraúna Magno, Aline de Almeida Neves, Daniele Masterson Ferreira, Andréa Vaz Braga Pintor, Lucianne Cople Maia, Laura Guimarães Primo J Endod. 2020 Nov;46(11):1545-1558.doi: 10.1016/j.joen.2020.08.002.Epub 2020 Aug 11.

Introduction:The purpose of this study was to evaluate the potential of endotoxin reduction by comparing the number of lipopolysaccharides (LPSs) before and after the use of calcium hydroxide (Ca[OH]2) as intracanal medication (ICM). Methods:Searches were performed up to June 2020. Clinical and experimental studies comparing the amount of LPSs before and after the use of Ca(OH)2 as ICM in infected root canals were included. Risks of bias assessment and data extraction were performed. Meta-analysis was conducted by subgrouping according to Ca(OH)2, the presence of an antimicrobial substance (AS), irrigant solution during chemomechanical preparation (CMP), and the incidence of LPS reduction. The certainty of evidence was determined by the Grading of Recommendations Assessment, Development and Evaluation approach. Results:Nine studies were included in the qualitative synthesis and 7 in the meta-analysis. Three articles had low risk of bias (RB), 1 had moderate RB, 2 had high RB, and 3 "some concerns." Overall, Ca(OH)2, with or without AS, reduced mean LPSs before CMP (standardized mean difference [SMD] = -1.087 [confidence interval {CI}, -1.453 to -0.721], P < .001, I2 = 58.7%) and after CMP (SMD = -0.919 [CI, -1.156 to -0.682], P < .001, I2 = 24.7%). Considering the irrigant solutions, the overall results showed a reduction before (SMD = -1.053 [CI, -1.311 to -0.795], P < .001, I2 = 58.7%) and after CMP (SMD = -0.938 [CI, -1.147 to -0.729], P < .001, I2 = 24,6%). Analyses presented very low certainty of evidence. The incidence of LPS reduction was 98.9% and 61.7% for Ca(OH)2 with and without AS, respectively.Conclusions:Ca(OH)2 reduces endotoxin levels when used as ICM but is unable to eliminate LPSs completely independent of the irrigating solution used with very low certainty of evidence.

3. Child Maltreatment Prevention Readiness Assessment in Oman

Muna Al Saadoon, Asia Al Numani, Hassan Saleheen, Maha Almuneef, Majid Al-Eissa Sultan Qaboos Univ Med J. 2020 Feb;20(1):e37-e44.doi: 10.18295/squmj.2020.20.01.006.Epub 2020 Mar 9.

Objectives:This study aimed to evaluate Oman's readiness for implementing large-scale child maltreatment prevention (CMP) programmes. Methods:This cross-sectional study was conducted between May and August 2016 in Oman. Participants, referred to as key informants, were individuals with influence and decision-making powers over CMP. The multidimensional Readiness Assessment for the Prevention of Child Maltreatment tool, developed by the World Health Organization with the help of collaborators from middle- and low-income countries, was used to assess 10 dimensions of readiness, each with a maximum score of 10. Results:A total of 49 participants were included in this study (response rate = 98%). The mean total score for the 10 dimensions was 50.17 out of 100 possible points. The participants showed high mean readiness scores on legislation, mandates and policies (9.08) followed by knowledge of CMP (7.55), institutional resources and links (6.12), willingness to address the problem (5.35), informal social resources (5.15) and current programme implementation and evaluation (5.10). Participants had low scores in readiness in association with human and technical resources (2.44), attitudes towards CMP (2.90), scientific data on CMP (3.06) and material resources (3.46).Conclusion:The results of this study indicate that Oman has a moderate level of readiness to implement large-scale evidence-based prevention programmes against child maltreatment; however, several dimensions still need to be strengthened. It is important to develop a national strategy that outlines a framework for organising and prioritising efforts towards CMP.

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