Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
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Purity: 98.0%
Stocking Period: Inquiry
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391680-92-5

391680-92-5 structure

Name: 5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
Chemical Name: methyl 5-hydroxy-4-oxo-2-thiophen-2-yl-1H-pyrimidine-6-carboxylate
CAS Number: 391680-92-5
Molecular Formula: C₁₀H₈N₂O₄S
Molecular Weight: 252.24700
Catalog: Signaling Pathways Anti-infection CMV
Create Date: 2018-12-03 16:52:54
Modify Date: 2024-01-29 14:50:57
pUL89 Endonuclease-IN-1 (Compound 13d) is a potent inhibitor of human cytomegalovirus (HCMV) pUL89 endonuclease with the IC50 value of 0.88 μM and has antiviral activitiy[1].

Name	methyl 5-hydroxy-4-oxo-2-thiophen-2-yl-1H-pyrimidine-6-carboxylate
Synonyms	5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester methyl 5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxylate 4-Pyrimidinecarboxylic acid,5,6-dihydroxy-2-(2-thienyl)-,methyl ester methyl 2-(2-thienyl)-4,5-dihydroxypyrimidine-6-carboxylate (6E)-6-[hydroxy(methoxy)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

Description	pUL89 Endonuclease-IN-1 (Compound 13d) is a potent inhibitor of human cytomegalovirus (HCMV) pUL89 endonuclease with the IC50 value of 0.88 μM and has antiviral activitiy[1].
Related Catalog	Research Areas >> Infection Signaling Pathways >> Anti-infection >> CMV
Target	IC50:0.88μM (pUL89-C)
In Vitro	pUL89 Endonuclease-IN-1 (compound 13d) is strongly inhibited pUL89-C with the values of IC500.88μM. pUL89 Endonuclease-IN-1 reveals excellent aqueous solubility, plasma stability, and metabolic stability in vitro ADME. pUL89 Endonuclease-IN-1 displays moderately permeability in the PAMPA[1]. Cell Cytotoxicity Assay[1] Cell Line: HFF cells Concentration: 5 μM Incubation Time: 168 h Result: Showed significant inhibition for HCMV at 5 μM.
References	[1]. Tianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849. [2]. ianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849.

Molecular Formula	C₁₀H₈N₂O₄S
Molecular Weight	252.24700
Exact Mass	252.02000
PSA	120.52000
LogP	0.99060

1003-31-2

391680-92-5

Literature: Pace, Paola; Di Francesco, M. Emilia; Gardelli, Cristina; Harper, Steven; Muraglia, Ester; Nizi, Emanuela; Orvieto, Federica; Petrocchi, Alessia; Poma, Marco; Rowley, Michael; Scarpelli, Rita; Laufer, Ralph; Paz, Odalys Gonzalez; Monteagudo, Edith; Bonelli, Fabio; Hazuda, Daria; Stillmock, Kara A.; Summa, Vincenzo Journal of Medicinal Chemistry, 2007 , vol. 50, # 9 p. 2225 - 2239

878650-00-1

391680-92-5

Literature: Koch, Uwe; Attenni, Barbara; Malancona, Savina; Colarusso, Stefania; Conte, Immacolata; Di Filippo, Marcello; Harper, Steven; Pacini, Barbara; Giomini, Claudia; Thomas, Steven; Incitti, Ilario; Tomei, Licia; De Francesco, Raffaele; Altamura, Sergio; Matassa, Victor G.; Narjes, Frank Journal of Medicinal Chemistry, 2006 , vol. 49, # 5 p. 1693 - 1705

53370-51-7

391680-92-5

53370-51-7

762-42-5

~14%

391680-92-5

Literature: Summa, Vincenzo; Petrocchi, Alessia; Matassa, Victor G.; Gardelli, Cristina; Muraglia, Ester; Rowley, Michael; Paz, Odalys Gonzalez; Laufer, Ralph; Monteagudo, Edith; Pace, Paola Journal of Medicinal Chemistry, 2006 , vol. 49, # 23 p. 6646 - 6649

Precursor 4
1003-31-2 878650-00-1 53370-51-7 762-42-5
DownStream 2
849475-71-4 391680-79-8

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