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2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylic acid is a pyrimidine derivative with the molecular formula C13H11N3O2S. It features a carboxylic acid group at the fifth carbon, a methylthio group at the second position, and a phenylamino group at the fourth position. This chemical compound has potential pharmacological and therapeutic applications due to its inhibitory effects on certain enzymes and receptors in the body, making it a promising candidate for drug development and research in medicinal chemistry.

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  • 857200-26-1 Structure
  • Basic information

    1. Product Name: 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylicacid
    2. Synonyms: 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylicacid;2-(methylthio)-4-(phenylamino)-5-pyrimidinecarboxylic acid
    3. CAS NO:857200-26-1
    4. Molecular Formula: C12H11N3O2S
    5. Molecular Weight: 261.29964
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 857200-26-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylicacid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylicacid(857200-26-1)
    11. EPA Substance Registry System: 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylicacid(857200-26-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 857200-26-1(Hazardous Substances Data)

857200-26-1 Usage

Uses

Used in Pharmaceutical Industry:
2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylic acid is used as a pharmaceutical agent for its potential inhibitory effects on specific enzymes and receptors. Its unique structure and properties contribute to its potential as a therapeutic compound in the development of new drugs for various medical conditions.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylic acid serves as a valuable compound for further research and development. Its ability to modulate biological targets makes it a candidate for the creation of novel therapeutic agents and the exploration of its potential applications in treating diseases and disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 857200-26-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,5,7,2,0 and 0 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 857200-26:
(8*8)+(7*5)+(6*7)+(5*2)+(4*0)+(3*0)+(2*2)+(1*6)=161
161 % 10 = 1
So 857200-26-1 is a valid CAS Registry Number.

857200-26-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(phenylamino)-

1.2 Other means of identification

Product number -
Other names 2-Methylsulfanyl-4-phenylamino-5-pyrimidinecarboxylic acid

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:857200-26-1 SDS

857200-26-1Relevant articles and documents

Design and Development of a Chemical Probe for Pseudokinase Ca2+/calmodulin-Dependent Ser/Thr Kinase

Aydogan, Yagmur,Berger, Benedict-Tilman,Chaikuad, Apirat,Drewry, David H.,Knapp, Stefan,Müller, Susanne,Mandel, Sebastian,Mauer, Sandy,Pohl, Christian,Russ, Nadine,Schr?der, Martin

, p. 14358 - 14376 (2021/10/12)

CASK (Ca2+/calmodulin-dependent Ser/Thr kinase) is a member of the MAGUK (membrane-associated guanylate kinase) family that functions as neurexin kinases with roles implicated in neuronal synapses and trafficking. The lack of a canonical DFG motif, which

Discovery of the c-Jun N-Terminal Kinase Inhibitor CC-90001

Apuy, Julius,Bahmanyar, Sogole,Benish, Brent,Bennett, Brydon L.,Blease, Kate,Canan, Stacie S.,Condroski, Kevin,Delgado, Mercedes,Elsner, Jan,Erdman, Paul,Haelewyn, Jason,Hilgraf, Robert,Khambatta, Godrej,Lebrun, Laurie,McCarrick, Meg,Moghaddam, Mehran F.,Mortensen, Deborah S.,Nagy, Mark A.,Norris, Stephen,Paisner, David,Romanow, William J.,Satoh, Yoshitaka,Tikhe, Jayashree,Xu, Li,Yoon, Won

, p. 18193 - 18208 (2021/12/27)

As a result of emerging biological data suggesting that within the c-Jun N-terminal kinase (JNK) family, JNK1 and not JNK2 or JNK3 may be primarily responsible for fibrosis pathology, we sought to identify JNK inhibitors with an increased JNK1 bias relative to our previous clinical compound tanzisertib (CC-930). This manuscript reports the synthesis and structure-activity relationship (SAR) studies for a novel series of JNK inhibitors demonstrating an increased JNK1 bias. SAR optimization on a series of 2,4-dialkylamino-pyrimidine-5-carboxamides resulted in the identification of compounds possessing low nanomolar JNK inhibitory potency, overall kinome selectivity, and the ability to inhibit cellular phosphorylation of the direct JNK substrate c-Jun. Optimization of physicochemical properties in this series resulted in compounds that demonstrated excellent systemic exposure following oral dosing, enabling in vivo efficacy studies and the selection of a candidate for clinical development, CC-90001, which is currently in clinical trials (Phase II) in patients with idiopathic pulmonary fibrosis (NCT03142191).

Substituted Tricyclic Pyrazolo-Pyrimidine Compounds

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Paragraph 0298; 0299, (2014/09/29)

The present invention relates to substituted tricyclic pyrazolo-pyrimidine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted tricyclic pyrazolo-pyrimidine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES

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, (2012/11/08)

The present invention relates to 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives, to their preparation and to their therapeutic use.

PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF

-

Page/Page column 149, (2010/08/04)

A method for preventing and/or treating a metabolic disease, cerebrovascular disease, etc. which comprises administering to a mammal an effective amount of the compound of the formula (I) wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. And a novel compound of the formula (I-1): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof has an anti-diabetic effect and a neuroprotective effect. Accordingly, the compound of the formula (I) and the compound of the formula (I-1) are useful in a method for preventing and/or treating for a metabolic disease such as diabetes, cerebrovascular disease such as stroke, etc.

Novel and orally active 5-(1,3,4-oxadiazol-2-yl)pyrimidine derivatives as selective FLT3 inhibitors

Ishida, Hiroshi,Isami, Shoichi,Matsumura, Tsutomu,Umehara, Hiroshi,Yamashita, Yoshinori,Kajita, Jiro,Fuse, Eiichi,Kiyoi, Hitoshi,Naoe, Tomoki,Akinaga, Shiro,Shiotsu, Yukimasa,Arai, Hitoshi

scheme or table, p. 5472 - 5477 (2009/05/30)

5-(1,3,4-Oxadiazol-2-yl)pyrimidine derivative 1 was identified as a new class of FLT3 inhibitor from our compound library. With the aim of enhancement of antitumor activity of 2 prepared by minor modification of1, structure optimization of side chains at the 2-, 4-, and 5-positions of the pyrimidine ring of 2 was performed to improve the metabolic stability. Introduction of polar substituents on the 1,3,4-oxadiazolyl group contributed to a significant increase in the metabolic stability. As a result, a series of compounds showed increased efficacy against MOLM-13 xenograft model in mice by oral administration.

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