41542-06-7

Basic information

• Product Name: 1-(2,3-DICHLOROPHENYL)-2-THIOUREA
• Synonyms: 1-(2,3-DICHLOROPHENYL)-2-THIOUREA;1-(2,3-Dichlorophenyl)thiourea
• CAS NO: 41542-06-7
• Molecular Formula: C₇H₆Cl₂N₂S
• Molecular Weight: 221.11
• Mol File: 41542-06-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 160 °C
• Boiling Point: 322.3 °C at 760 mmHg
• Flash Point: 148.7 °C
• Appearance: /
• Density: 1.563 g/cm³
• Vapor Pressure: 0.000281mmHg at 25°C
• Refractive Index: 1.73
• CAS DataBase Reference: 1-(2,3-DICHLOROPHENYL)-2-THIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,3-DICHLOROPHENYL)-2-THIOUREA(41542-06-7)
• EPA Substance Registry System: 1-(2,3-DICHLOROPHENYL)-2-THIOUREA(41542-06-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 41542-06-7(Hazardous Substances Data)

Usage

General Description

1-(2,3-Dichlorophenyl)-2-thiourea, also known as DCPPT, is an organic compound with the chemical formula C7H6Cl2N2S. It is a white solid with a molecular weight of 227.1 g/mol and is soluble in organic solvents. DCPPT is commonly used in the field of chemistry as a reagent in organic synthesis and as a precursor for the preparation of various other chemical compounds. It is also used as a pesticide, specifically as a herbicide to control the growth of weeds in agricultural settings. DCPPT is classified as a thiourea derivative and is known for its high efficacy and low toxicity, making it a popular choice in various industrial applications.

InChI:InChI=1/C7H6Cl2N2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)

Upstream product

• 608-27-5 2,3-dichloroaniline 
• 83697-81-8 N-(2,3-dichlorophenyl)-N’-benzoylthiourea 
• 6590-97-2 2,3-dichloro-1-isothiocyanatobenzene 

Downstream Products

• 107305-52-2 17β-[2-(2,3-dichloro-anilino)-thiazol-4-yl]-17α-hydroxy-androst-4-en-3-one 
• 1030631-27-6 C₂₀H₁₄Cl₂N₄OS₂ 
• 1246779-98-5 BrH*C₁₇H₉Cl₃N₄OS 
• 1267448-26-9 6,7-dichloro-4-phenyl-2H-pyrimido[2,1-b]benzothiazol-2-one 
• 1849-71-4 4,5-dichloro-1,3-benzothiazol-2-amine 
• 929561-28-4 C₁₇H₁₄Cl₂N₂O₂S 
• 119155-39-4 N-(2,3-Dichloro-phenyl)-morpholine-4-carboxamidine; hydriodide 
• 69347-88-2 1-(2,3-Dichloro-phenyl)-2-methyl-isothiourea; hydriodide 

Relevant articles and documents

Discovery of 6-[(3 S,4 S)-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor

Src homology 2 (SH2) domain-containing phosphatase 2 (SHP2) plays a role in receptor tyrosine kinase (RTK), neurofibromin-1 (NF-1), and Kirsten rat sarcoma virus (KRAS) mutant-driven cancers, as well as in RTK-mediated resistance, making the identification of small-molecule therapeutics that interfere with its function of high interest. Our quest to identify potent, orally bioavailable, and safe SHP2 inhibitors led to the discovery of a promising series of pyrazolopyrimidinones that displayed excellent potency but had a suboptimal in vivo pharmacokinetic (PK) profile. Hypothesis-driven scaffold optimization led us to a series of pyrazolopyrazines with excellent PK properties across species but a narrow human Ether-à-go-go-Related Gene (hERG) window. Subsequent optimization of properties led to the discovery of the pyrimidinone series, in which multiple members possessed excellent potency, optimal in vivo PK across species, and no off-target activities including no hERG liability up to 100 μM. Importantly, compound 30 (IACS-15414) potently suppressed the mitogen-activated protein kinase (MAPK) pathway signaling and tumor growth in RTK-activated and KRASmut xenograft models in vivo.

4′-Methyl-4,5′-bithiazole-based correctors of defective ΔF508-CFTR cellular processing

The synthesis and ΔF508-CFTR corrector activity of a 148-member methylbithiazole-based library are reported. Synthetic routes were devised and optimized to generate methylbithiazole analogs in four steps. Corrector potency and efficacy were assayed using epithelial cells expressing human ΔF508-CFTR. These structure-activity data establish that the bithiazole substructure plays a critical function; eight novel methylbithiazole correctors were identified with low micromolar potencies.