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Isopropyl(2-nitrophenyl)sulfane, also known as isopropyl 2-nitrophenyl sulfide, is an organosulfur compound with the molecular formula C9H11NO2S. It is characterized by its distinctive odor and the presence of a nitro group, making it a versatile precursor in organic synthesis and pharmaceutical research. Its unique properties position it as a valuable building block for the synthesis of complex organic molecules.

70415-85-9

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70415-85-9 Usage

Uses

Used in Organic Synthesis:
Isopropyl(2-nitrophenyl)sulfane is used as a precursor in organic synthesis for the production of various organic compounds. Its reactivity and functional groups make it a useful intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Research:
In pharmaceutical research, isopropyl(2-nitrophenyl)sulfane is employed as a key intermediate in the development of new drugs. Its unique structure and properties allow for the creation of novel therapeutic agents with potential applications in medicine.
Used in Agriculture:
Isopropyl(2-nitrophenyl)sulfane has potential applications in agriculture, where it may be used as a precursor for the synthesis of agrochemicals, such as pesticides and herbicides. Its ability to form complex molecules makes it a valuable component in the development of new and effective agricultural products.
Used in Materials Science:
In the field of materials science, isopropyl(2-nitrophenyl)sulfane may be utilized in the synthesis of advanced materials with unique properties. Its versatility and reactivity contribute to the development of new materials with potential applications in various industries, including electronics, coatings, and adhesives.

Check Digit Verification of cas no

The CAS Registry Mumber 70415-85-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,4,1 and 5 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 70415-85:
(7*7)+(6*0)+(5*4)+(4*1)+(3*5)+(2*8)+(1*5)=109
109 % 10 = 9
So 70415-85-9 is a valid CAS Registry Number.

70415-85-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Isopropyl-(2-nitrophenyl)-sulfid

1.2 Other means of identification

Product number -
Other names Isopropyl(2-nitrophenyl)sulfane

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:70415-85-9 SDS

70415-85-9Relevant academic research and scientific papers

Design, synthesis and biological evaluation of novel 4-arylaminopyrimidine derivatives possessing a hydrazone moiety as dual inhibitors of L1196M ALK and ROS1

Wang, Yu,Zhang, Guogang,Hu, Gang,Bu, Yanxin,Lei, Hongrui,Zuo, Daiying,Han, Mengting,Zhai, Xin,Gong, Ping

, p. 80 - 89 (2016)

A series of 4-arylaminopyrimidine derivatives possessing a hydrazone moiety were designed, synthesized and evaluated for their biological activity. Most compounds exhibited moderate to excellent cytotoxic activity against ALK-addicted KARPAS299 and ROS1-addicted HCC78, while also showing much less potent activity against A549, H460 and HT-29, whose growth were not dependent on ALK and/or ROS1, as compared with crizotinib and ceritinib. The most promising compound, 7b, showed high antiproliferative effects on ALK-addicted KARPAS299 and ROS1-addicted HCC78?cell lines with IC50of 20?nM and 28?nM, respectively, but showed no inhibitory activity against A549, H460 and HT-29. The enzymatic assay identified 7b as a potent and selective ALK and ROS1 dual inhibitor with IC50of 2.5?nM and 2.7?nM, respectively. It also exhibited good inhibitory activity against the L1196M ALK with an IC50value of 67?nM.

CDK inhibitor based on organic arsine as well as preparation method and application of CDK inhibitor

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Paragraph 0412-0417, (2021/03/31)

The invention provides a CDK inhibitor based on organic arsine as well as a preparation method and application of the CDK inhibitor. Specifically, the invention providese compounds of Formula I, or stereoisomers or tautomers thereof, or pharmaceutically acceptable salts, hydrates or solvates thereof; and the invention also discloses a preparation method and application thereof. Definitions of allgroups in the formula are shown in the specification.

Fragment-based modification of 2,4-diarylaminopyrimidine derivatives as ALK and ROS1 dual inhibitors to overcome secondary mutants

Chen, Yuxiang,Guo, Ming,Li, Tong,Li, Wei,Wei, Shangfei,Zhai, Xin,Zhao, Tianming,Zhu, Minglin

, (2020/09/01)

In order to explore novel ALK and ROS1 dual inhibitors capable of overcoming crizotinib-resistant mutants, two series of 2,4-diarylaminopyrimidine derivatives were designed, synthesized and evaluated for their in vitro cytotoxic activity. In this work, we retained the 2,4-diarylaminopyrimidine scaffold and derivatize the DAAP scaffold with sulfonyl and acrylamide moieties to extend the structure–activity relationship (SAR) study. To our delight, some compounds exhibited excellent inhibitory activity with a double-digit nanomolar level in MTT assay. Four compounds were selected for enzymic assays further, the results led to the identification of a potent ALK and ROS1 dual inhibitor X-17, with IC50 values of 3.7 nM, 2.3 nM, 8.9 nM and 1.9 nM against ALK, ALKL1196M, ALKG1202R and ROS1, respectively. Ultimately, the molecular docking studies on X-17 clearly disclosed reasonable and optimal binding interactions with ALK.

2,4-diarylaminopyrimidine derivative as well as preparation method and application thereof

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Paragraph 0198-0200, (2018/07/03)

The invention relates to a 2,4-diarylaminopyrimidine derivative shown as a general formula I and optical isomers thereof, pharmaceutically acceptable salts, solvates or prodrugs, as well as preparation methods thereof and a pharmaceutical composition taking the compound of the general formula I as an active ingredient. In the formula, substituent groups R1, R2, R3, R4, R5, R6 and X have meanings given in the description. The invention further relates to a compound of the general formula I with strong ALK and ROS1 kinase inhibition effects, and further relates to application of the compounds and optical isomers and pharmaceutically acceptable salts thereof in preparation of medicines for treating and/or preventing diseases caused by abnormal expressions of ALK and ROS1, particularly application in preparation of medicines for treating and/or preventing cancers. The structural formula is as shown in the description.

The novel anti-tumor medicine synthetic method and a pharmaceutically acceptable salt thereof and solid preparation (by machine translation)

-

Paragraph 0035; 0036, (2018/09/08)

The invention discloses a method for synthesis of antineoplastic agent, the chemical name is 5 - chloro - N2 - (3 - amino-acetyl aminophenyl) - N4 - (2 - [...] phenyl) pyrimidine - 2, 4 - diamine. At the same time, its salt, crystalline form research, select and suitable for further development as a preparation of the maleate, tartrate and succinate and its corresponding crystalline form. The invention also provides a to the antineoplastic agent as the active ingredient of the solid preparation, wherein the supplemented with one or more solubilising. The invention solid preparation dissolution characteristic and excellent stability, with clinical application prospect. (by machine translation)

Preparation method for ceritinib and intermediate thereof

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Paragraph 0062, (2017/07/22)

The invention provides a preparation method for ceritinib and an intermediate thereof. The method comprises the following steps: (1) coupling the compound 1-dihydrochloride with the compound 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine (a compound 3) so as to produce 5-chloro-N2-(2-isopropanolato-5-methyl-4-(piperid-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine dihydrochloride (a compound 4, i.e., ceritinib dihydrochloride); and (2) subjecting the compound 4 to dissociation so as to produce ceritinib. The preparation method provided by the invention is low in cost and high in yield, and the purity of the intermediate in each step is 99.5% or above, so high purity of ceritinib is guaranteed. The method is few in steps, simple to operate and suitable for industrial production and has great application value.

Including zong pyrimidine derivative and use thereof (by machine translation)

-

Paragraph 0115; 0116, (2017/09/21)

The invention relates to the general formulaIThe pyrimidine derivatives including zong shown and its optical isomer, pharmaceutically acceptable salt, solvate or prodrug, their preparation method and as shown in the formula I compound as an active ingredient of the pharmaceutical composition, wherein the substituents R1 , R2 , R3 , Ar, X has the meanings given in the specification. The invention also relates to the compounds of the general formula I has strong ALK and ROS1 kinase inhibitory activity, and also relates to the compounds and its optical isomer, a pharmaceutically acceptable salt thereof for the treatment and/or the prevention of the ROS1 ALK and of diseases caused by the abnormal expression of the pharmaceutical in the application, in particular in preparing and treating and/or preventing cancer of the use of the medicament. (by machine translation)

4-Saturated cyclosubstituted aniline protein kinase inhibitor

-

Paragraph 0099; 0135; 0136; 0137, (2017/04/29)

The invention discloses a compound being able to adjust the activity of protein kinase and used for treating or preventing protein kinase related diseases, concretely relates to a 4-saturated cyclosubstituted aniline protein kinase inhibitor belonging to a compound for adjusting the activity of anaplastic lymphoma kinase (ALK), and provides a preparation method of the compound and a pharmaceutical use of the compound in treatment or prevention of ALK related diseases.

A method for preparing color Switzerland for Nepal

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Paragraph 0025; 0026, (2017/08/25)

The invention discloses a method for preparing ceritinib, belonging to the field of chemical pharmacy. The method comprises the following steps: by taking 3-bromine-4-methylphenol as an initial raw material, performing phenolic hydroxyl isopropylation, nitration, coupling and reduction reaction, obtaining a midbody 1, by further taking o-nitro fluorobenzene as another initial raw material, performing isosulfhydrylation, oxidation, reduction and pyrimidine, obtaining a midbody 2, performing coupling reduction on the midbody 1 and the midbody 1, obtaining ceritinib which is protected by BOC acid anhydride, and finally removing a t-butyloxycarboryl protecting group, and obtaining ceritinib. The method is simple and feasible to operate, relatively high in yield, small in pollution and applicable to industrial production.

Pyridone protein kinase inhibitor

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Paragraph 0088; 0097; 0098, (2017/04/19)

The invention discloses a compound capable of regulating protein kinase activity and used for treating or preventing diseases related to protein kinase, particularly relates to a pyridone protein kinase inhibitor, belongs to compounds for regulating anaplastic lymphoma kinase (ALK) activity, and provides a preparation method of the compounds and pharmaceutical application of the compounds to the treatment or prevention of the diseases related to ALK.

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