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1-(3-tert-Butyl-5-iodo-4-methoxyphenyl)pyrimidin-2,4(1H,3H)-dione is a complex organic compound with a unique molecular structure that features a pyrimidine core, a tert-butyl group, an iodine atom, and a methoxy group attached to a phenyl ring. 1-(3-tert-Butyl-5-iodo-4-Methoxyphenyl)pyriMidin-2,4(1H,3H)-dione is characterized by its potential reactivity and functional groups that can be utilized in various chemical reactions and applications.

1132940-53-4

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1132940-53-4 Usage

Uses

Used in Pharmaceutical Industry:
1-(3-tert-Butyl-5-iodo-4-methoxyphenyl)pyrimidin-2,4(1H,3H)-dione is used as a reactant in the synthesis of aryl uracil inhibitors of hepatitis C virus NS5B polymerase. Its unique structure allows it to serve as a key intermediate in the development of antiviral drugs targeting the replication mechanism of the hepatitis C virus, thereby offering a potential treatment for this infectious disease.
In the synthesis process, the compound's functional groups can be further modified or combined with other molecules to create more complex and effective pharmaceutical agents. The iodine atom, in particular, may facilitate the formation of crucial bonds or contribute to the overall pharmacokinetic properties of the final drug product. The methoxy group can also play a role in modulating the compound's solubility, stability, and interaction with biological targets.
Overall, 1-(3-tert-Butyl-5-iodo-4-methoxyphenyl)pyrimidin-2,4(1H,3H)-dione is a valuable component in the ongoing research and development of novel antiviral therapies, particularly for the treatment of hepatitis C. Its versatile structure and potential reactivity make it a promising candidate for further exploration and application in the pharmaceutical field.

Check Digit Verification of cas no

The CAS Registry Mumber 1132940-53-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,3,2,9,4 and 0 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1132940-53:
(9*1)+(8*1)+(7*3)+(6*2)+(5*9)+(4*4)+(3*0)+(2*5)+(1*3)=124
124 % 10 = 4
So 1132940-53-4 is a valid CAS Registry Number.

1132940-53-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-tert-butyl-5-iodo-4-methoxyphenyl)pyrimidine-2,4-dione

1.2 Other means of identification

Product number -
Other names 1-(3-tert-butyl-5-iodo-4-methoxyphenyl)-3H-pyrimidine-2,4-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1132940-53-4 SDS

1132940-53-4Downstream Products

1132940-53-4Relevant academic research and scientific papers

Preparation method of dasabuvir key intermediate

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Paragraph 0015; 0046, (2020/08/27)

The invention discloses a preparation method of a dasabuvir key intermediate. The preparation method comprises the following steps: carrying out substitution reaction on a compound A, namely 2-bromobenzonitrile, and a compound B, namely 2-picolinamide, so

Discovery and Development of Metal-Catalyzed Coupling Reactions in the Synthesis of Dasabuvir, an HCV-Polymerase Inhibitor

Barnes, David M.,Shekhar, Shashank,Dunn, Travis B.,Barkalow, Jufang H.,Chan, Vincent S.,Franczyk, Thaddeus S.,Haight, Anthony R.,Hengeveld, John E.,Kolaczkowski, Lawrence,Kotecki, Brian J.,Liang, Guangxin,Marek, James C.,McLaughlin, Maureen A.,Montavon, Donna K.,Napier, James J.

, p. 4873 - 4892 (2019/02/05)

Dasabuvir (1) is an HCV polymerase inhibitor which has been developed as a part of a three-component direct-acting antiviral combination therapy. During the course of the development of the synthetic route, two novel coupling reactions were developed. First, the copper-catalyzed coupling of uracil with aryl iodides, employing picolinamide 16 as the ligand, was discovered. Later, the palladium-catalyzed sulfonamidation of aryl nonaflate 33 was developed, promoted by electron-rich palladium complexes, including the novel phosphine ligand, VincePhos (50). This made possible a convergent, highly efficient synthesis of dasabuvir that significantly reduced the mutagenic impurity burden of the process.

Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: Synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif

Krueger, A. Chris,Randolph, John T.,Degoey, David A.,Donner, Pamela L.,Flentge, Charles A.,Hutchinson, Douglas K.,Liu, Dachun,Motter, Christopher E.,Rockway, Todd W.,Wagner, Rolf,Beno, David W.A.,Koev, Gennadiy,Lim, Hock B.,Beyer, Jill M.,Mondal, Rubina,Liu, Yaya,Kati, Warren M.,Longenecker, Kenton L.,Molla, Akhteruzzaman,Stewart, Kent D.,Maring, Clarence J.

, p. 3487 - 3490 (2013/07/19)

The synthesis and structure-activity relationships of a novel aryl uracil series which contains a fused 5,6-bicyclic ring unit for HCV NS5B inhibition is described. Several analogs display replicon cell culture potencies in the low nanomolar range along with excellent rat pharmacokinetic values.

PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS

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Page/Page column 26, (2012/02/01)

This disclosure is directed to: (a) processes for preparing a compound and salts thereof that, inter alia, are useful for inhibiting hepatitis C virus (HCV); (b) intermediates useful for the preparation of the compound and salts; (c) pharmaceutical compositions comprising the compound or salts; and (d) methods of use of such compositions.

PROCESS FOR PREPARING ANTIVIRAL COMPOUND

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Page/Page column 18, (2010/11/04)

This invention is directed to: (a) processes for preparing a compound and salts thereof that, inter alia, are useful for inhibiting hepatitis C virus (HCV); (b) intermediates useful for the preparation of the compound and salts; (c) pharmaceutical compositions comprising the compound or salts; and (d) methods of use of such compositions.

ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF

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Page/Page column 99; 109, (2009/04/25)

This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C

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Page/Page column 166-168, (2009/04/25)

Present application relates to the compounds of formula I useful to treat hepatitis C (HCV) infections. In the structure of the disclosed compounds is the uracil or thymine derivative linked via a phenylene into either fused 2-ring cyclic system (R6) or alternatively via additional two-atom linker (L) to a 5-6 membered monocycle (R6). Application further discloses polymorphs and pseudopolymorphs of two specific compounds: N-(6(3-t-butyl-5-(2>4-dioxo-3,4-dihydropyrimidin-1 (2H)- y!)2-methoxy-phenyl)naphthalen-2-yl)methanesulfonamide and (E)-N-(4(3-t- butyl-5-(2,4-dioxo-3)4-dihydropyrimidin-1 (2H)-yl)2-methoxy-styryl- phenyl)methanesulfonamide.

N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS

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Page/Page column 102-103; 104, (2009/04/25)

This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such interm

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