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Merck
CN

SML4032

CPSF3-IN-1

≥98% (HPLC)

别名:

3-(1,3-Ddihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-(40- acetyl-1,10-biphenyl-3-yl) propanamide, N-(4′-Acetyl[1,1′-biphenyl]-3-yl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborole-7-propanamide; benzoxaborole 1

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关于此项目

经验公式(希尔记法):
C24H22BNO4
化学文摘社编号:
分子量:
399.25
NACRES:
NA.21
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
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Quality Level

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(NC1=CC(C2=CC=C(C=C2)C(C)=O)=CC=C1)CCC3=CC=CC4=C3B(OC4)O

InChI

1S/C24H22BNO4/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-30-25(29)24(19)21/h2-11,14,29H,12-13,15H2,1H3,(H,26,28)

InChI key

KANKQAZGSKQFCK-UHFFFAOYSA-N

Biochem/physiol Actions

Cell penetrant, potent and selective inhibitor of endonuclease activity of CPSF3 in vitro that limits transcriptional termination in cells.
CPSF3-IN-1 (3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-(40- acetyl-1,10-biphenyl-3-yl) propenamide) is a cell penetrant, potent and selective inhibitor of endonuclease activity of CPSF3 (cleavage and polyadenylation specific factor 3) in vitro that limits transcriptional termination in cells. CPSF3-IN-1 binds to CPSF3 active site and causes transcription readthrough. It potently inhibits growth of numerous cancer cell lines (IC50 = 0.28 µM HCT116 cells).

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Jiong Zhang et al.
Journal of medicinal chemistry, 62(14), 6765-6784 (2019-07-03)
Benzoxaboroles, as a novel class of bioactive molecules with unique physicochemical properties, have been shown to possess excellent antimicrobial activities with tavaborole approved in 2014 as an antifungal drug. Although urgently needed, the investigation of benzoxaboroles as anticancer agents has
Ye Tao et al.
Cell chemical biology, 31(1), 139-149 (2023-11-16)
A novel class of benzoxaboroles was reported to induce cancer cell death but the mechanism was unknown. Using a forward genetics platform, we discovered mutations in cleavage and polyadenylation specific factor 3 (CPSF3) that reduce benzoxaborole binding and confer resistance.

全球贸易项目编号

货号GTIN
SML4032-25MG04065272197397
SML4032-5MG04065272197403

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