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Chemical Structure| 1094042-01-9 Chemical Structure| 1094042-01-9

Structure of CYM5442
CAS No.: 1094042-01-9

Chemical Structure| 1094042-01-9

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CYM-5442 is a highly-selective S1P1 (Spingosine 1-Phosphate Receptor 1) agonist. CYM-5442 reduces the severity of acute GVHD by inhibiting macrophage recruitment.

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Product Citations

Product Citations

Yang, Jingdong ; Qian, Yuanyuan ; Kim, Choon ; Birhanu, Biruk T ; Cal y Mayor-Luna, Carlos ; Ding, Derong , et al.

Abstract: Clostridioides difficile, a Gram-positive, spore-forming anaerobic bacterium, is a major healthcare threat. Its spores colonize the gut following dysbiosis caused by broad-spectrum antibiotics, remaining dormant until host’s bile acid triggers germination into vegetative cells that produce toxins, leading to diarrhea, colitis, and potentially death. Current antibiotics to treat C. difficile infection target vegetative cells but not spore germination, a pivotal step in infection development. This study unveils 1,2,4-oxadiazoles as a novel class of spore germination inhibitors and delineates the structure−activity relationship. Screening of 120 oxadiazoles revealed compound 110 (IC50 = 14 ± 1 μM or 6.3 ± 0.4 μg/mL). Compound 110 targets mature SleC (Kd = 12 ± 1.0 μM) and CspB (Kd = 8.0 ± 1.0 μM) on spores, inhibiting their enzymatic activities, thus preventing spore germination. To our knowledge, compound 110 is the first reported spore germination inhibitor targeting SleC/CspB, offering a promising avenue for C. difficile therapies.

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Product Details of CYM5442

CAS No. :1094042-01-9
Formula : C23H27N3O4
M.W : 409.48
SMILES Code : CCOC1=CC=C(C2=NC(C3=CC=CC4=C3CCC4NCCO)=NO2)C=C1OCC
MDL No. :MFCD12912402
InChI Key :NUIKTBLZSPQGCP-UHFFFAOYSA-N
Pubchem ID :25110406

Safety of CYM5442

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Related Pathways of CYM5442

GPCR

Isoform Comparison

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.44mL

0.49mL

0.24mL

12.21mL

2.44mL

1.22mL

24.42mL

4.88mL

2.44mL

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