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4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine is a pyrimidine derivative with the molecular formula C8H12N2O2S. It features a unique molecular structure, with two methoxy groups attached to a carbon atom and a methylthio group attached to a nitrogen atom. This chemical compound holds potential in both pharmaceutical and agricultural sectors due to its inhibitory effects on the growth of specific pathogens and parasites.

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  • 180869-36-7 Structure
  • Basic information

    1. Product Name: 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine
    2. Synonyms: 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine;Pyrimidine,4-(dimethoxymethyl)-2-(methylthio)-;2-methylthiopyrimidine-4-carboxaldehyde dimethyl acetal
    3. CAS NO:180869-36-7
    4. Molecular Formula: C8H12N2O2S
    5. Molecular Weight: 200.26
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 180869-36-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 273.033 °C at 760 mmHg
    3. Flash Point: 118.927 °C
    4. Appearance: /
    5. Density: 1.189 g/cm3
    6. Vapor Pressure: 0.01mmHg at 25°C
    7. Refractive Index: 1.534
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 0.37±0.31(Predicted)
    11. CAS DataBase Reference: 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine(180869-36-7)
    13. EPA Substance Registry System: 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine(180869-36-7)
  • 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: 180869-36-7(Hazardous Substances Data)

180869-36-7 Usage

Uses

Used in Pharmaceutical Industry:
4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine is used as a potential drug candidate for its ability to inhibit the growth of certain pathogens. Its unique molecular structure makes it a promising candidate for the development of new therapeutic agents targeting specific diseases.
Used in Agricultural Industry:
In the agricultural sector, 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine is used as a potential pesticide. Its capacity to inhibit the growth of parasites and pathogens makes it a candidate for developing new pesticides to protect crops and enhance agricultural productivity.
Further research and development are essential to fully explore the potential uses and benefits of 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine in these industries.

Check Digit Verification of cas no

The CAS Registry Mumber 180869-36-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,0,8,6 and 9 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 180869-36:
(8*1)+(7*8)+(6*0)+(5*8)+(4*6)+(3*9)+(2*3)+(1*6)=167
167 % 10 = 7
So 180869-36-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3

180869-36-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine

1.2 Other means of identification

Product number -
Other names 4-dimethoxymethyl-2-methylsulfanyl-pyrimidine

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:180869-36-7 SDS

180869-36-7Relevant articles and documents

Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor

Szlavik, Zoltan,Csekei, Marton,Paczal, Attila,Szabo, Zoltan B.,Sipos, Szabolcs,Radics, Gabor,Proszenyak, Agnes,Balint, Balazs,Murray, James,Davidson, James,Chen, Ijen,Dokurno, Pawel,Surgenor, Allan E,Daniels, Zoe Marie,Hubbard, Roderick E.,Le Toumelin-Braizat, Ga?tane,Claperon, Audrey,Lysiak-Auvity, Ga?lle,Girard, Anne-Marie,Bruno, Alain,Chanrion, Maia,Colland, Frédéric,Maragno, Ana-Leticia,Demarles, Didier,Geneste, Olivier,Kotschy, Andras

, p. 13762 - 13795 (2020/12/02)

Myeloid cell leukemia 1 (Mcl-1) has emerged as an attractive target for cancer therapy. It is an antiapoptotic member of the Bcl-2 family of proteins, whose upregulation in human cancers is associated with high tumor grade, poor survival, and resistance to chemotherapy. Here we report the discovery of our clinical candidate S64315, a selective small molecule inhibitor of Mcl-1. Starting from a fragment derived lead compound, we have conducted structure guided optimization that has led to a significant (3 log) improvement of target affinity as well as cellular potency. The presence of hindered rotation along a biaryl axis has conferred high selectivity to the compounds against other members of the Bcl-2 family. During optimization, we have also established predictive PD markers of Mcl-1 inhibition and achieved both efficient in vitro cell killing and tumor regression in Mcl-1 dependent cancer models. The preclinical candidate has drug-like properties that have enabled its development and entry into clinical trials.

MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE

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Paragraph 00365, (2019/03/05)

The present disclosure provides for compounds of Formula (I) wherein A2, A3, A4, A6, A7, A8, A15, RA, R5, R9, R10A, R10B, R11, R12, R13, R14, R16, W, X, and Y have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions, including cancer. Also provided are pharmaceutical compositions comprising compounds of Formula (I).

Macrocyclic MCL-1 inhibitors and methods of use

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Paragraph 0564, (2019/02/28)

The present disclosure provides for compounds of Formula (I) wherein A2, A3, A4, A6, A7, A8, A15, RA, R5, R9, R10A, R10B, R11, R12, R13, R14, R16, W, X, and Y have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents for the treatment of diseases and conditions, including cancer. Also provided are pharmaceutical compositions comprising compounds of Formula (I).

Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor

Divakaran, Anand,Talluri, Siva K.,Ayoub, Alex M.,Mishra, Neeraj K.,Cui, Huarui,Widen, John C.,Berndt, Norbert,Zhu, Jin-Yi,Carlson, Angela S.,Topczewski, Joseph J.,Schonbrunn, Ernst K.,Harki, Daniel A.,Pomerantz, William C. K.

, p. 9316 - 9334 (2018/10/24)

As regulators of transcription, epigenetic proteins that interpret post-translational modifications to N-terminal histone tails are essential for maintaining cellular homeostasis. When dysregulated, "reader" proteins become drivers of disease. In the case of bromodomains, which recognize N-?-acetylated lysine, selective inhibition of individual bromodomain-and-extra-terminal (BET)-family bromodomains has proven challenging. We describe the >55-fold N-terminal-BET bromodomain selectivity of 1,4,5-trisubstituted-imidazole dual kinase-bromodomain inhibitors. Selectivity for the BRD4 N-terminal bromodomain (BRD4(1)) over its second bromodomain (BRD4(2)) arises from the displacement of ordered waters and the conformational flexibility of lysine-141 in BRD4(1). Cellular efficacy was demonstrated via reduction of c-Myc expression, inhibition of NF-κB signaling, and suppression of IL-8 production through potential synergistic inhibition of BRD4(1) and p38α. These dual inhibitors provide a new scaffold for domain-selective inhibition of BRD4, the aberrant function of which plays a key role in cancer and inflammatory signaling.

COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES

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Page/Page column 87, (2018/11/26)

The present invention relates to new compounds that are useful in the prevention or treatment of respiratory diseases, such as asthma, to the preparation of the compounds, and to compositions including the compounds. The present invention also relates to the use of the compounds, as well as compositions including the compounds, in treating or preventing respiratory diseases.

NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

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Page/Page column 61, (2017/01/09)

Compounds of formula (I): wherein R1, R2, R5, R6, R7, R12, X, Y, A, E and n are as defined in the description. Medicaments.

2-IMIDAZOLYL-PYRIMIDINE SCAFFOLDS AS POTENT AND SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE

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Paragraph 0024, (2016/01/25)

Imidazolyl-pyrimidine and related compounds, as can utilize heme-iron coordination in the selective inhibition of neuronal nitric oxide synthase.

NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

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Page/Page column 133; 134, (2015/07/15)

Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase

Mukherjee, Paramita,Li, Huiying,Sevrioukova, Irina,Chreifi, Georges,Martásek, Pavel,Roman, Linda J.,Poulos, Thomas L.,Silverman, Richard B.

, p. 1067 - 1088 (2015/03/04)

Selective inhibition of neuronal nitric oxide synthase (nNOS) is an important therapeutic approach to target neurodegenerative disorders. However, the majority of the nNOS inhibitors developed are arginine mimetics and, therefore, suffer from poor bioavai

A versatile synthesis of novel pan-PIM kinase inhibitors with initial SAR study

Flanders, Yvonne,Dumas, Stephane,Caserta, Justin,Nicewonger, Robb,Baldino, Michael,Lee, Chee-Seng,Baldino, Carmen M.

, p. 3186 - 3190 (2015/06/02)

Herein, we describe the versatile synthesis of (Z)-5-((2-aminopyrimidin-4-yl)methylene)thiazolidine-2,4-dione inhibitors (1) of the PIM family of kinases. This chemistry strategy was a key element in the multi-variable optimization program with the goal of identifying high quality leads for the development of a treatment for cancer.

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