2916559-62-9
Chemical Structure
Colibactin 742
- CAS No.: 2916559-62-9
- Formula:C37H42N8O5S2
- Molecular Weight:742.91
IUPAC Name: N-((4-(2-(4-(3-hydroxy-4-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)-5-oxopyrrolidin-3-yl)thiazol-2-yl)ethyl)thiazol-2-yl)methyl)-2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamide
InChIKey: MUFRDBRHJIYYPD-AYLSQICOSA-N
SMILES: O=C(NCC1=NC(CCC2=NC(C3(O)CNC(C3C4=C(C5=N[C@@H](C)CC5)C(N[C@]46CC6)=O)=O)=CS2)=CS1)CC([C@@]7(CC7)N8)=C(C9=N[C@@H](C)CC9)C8=O
Biological Activity: Colibactin 742 is a covalently binding DNA-damaging agent targeting DNA, with an IC50 of 5.2 μM against human cervical cancer cells (HeLa). Colibactin 742 covalently binds to DNA, forming interstrand crosslinks (ICLs), activating the Fanconi anemia DNA repair pathway, inducing γH2AX and FANCD2 foci formation and cell cycle arrest, while exacerbating mismatch repair deficiency (MMRd)-related mutations. Colibactin 742 can mimic the genotoxicity of natural Colibactin while avoiding its instability, and is mainly used in colorectal cancer (CRC) related research, including microbial tumorigenesis mechanisms, DNA damage repair pathways, and mutation signature analysis[1][2][3].
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Colibactin 742 | Colibactin 742 is a covalently binding DNA-damaging agent targeting DNA, with an IC50 of 5.2 μM against human cervical cancer cells (HeLa). Colibactin 742 covalently binds to DNA, forming interstrand crosslinks (ICLs), activating the Fanconi anemia DNA repair pathway, inducing γH2AX and FANCD2 foci formation and cell cycle arrest, while exacerbating mismatch repair deficiency (MMRd)-related mutations. Colibactin 742 can mimic the genotoxicity of natural Colibactin while avoiding its instability, and is mainly used in colorectal cancer (CRC) related research, including microbial tumorigenesis mechanisms, DNA damage repair pathways, and mutation signature analysis. | |||||||||||||||||||||
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- [1]. Wernke KM, et al. Probing Microbiome Genotoxicity: A Stable Colibactin Provides Insight into Structure-Activity Relationships and Facilitates Mechanism of Action Studies. J Am Chem Soc. 2021 Sep 29;143(38):15824-15833. [Content Brief]
- [2]. Dougherty MW, et al. The microbial genotoxin colibactin exacerbates mismatch repair mutations in colorectal tumors. Neoplasia. 2023 Sep;43:100918. [Content Brief]
- [3]. Agrawal R, et al. Colibactin Exerts Androgen-dependent and -independent Effects on Prostate Cancer. Eur Urol Oncol. 2025 Jun;8(3):716-730. [Content Brief]
Keywords
