1446507-40-9

Basic information

• Product Name: 2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine
• Synonyms: 2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine;Enasidenib Intermediate 1
• CAS NO: 1446507-40-9
• Molecular Formula: C₉H₃Cl₂F₃N₄
• Molecular Weight: 295.0481296
• EINECS: -0
• Mol File: 1446507-40-9.mol

Chemical Properties

• Boiling Point: 439.1±55.0 °C(Predicted)
• Appearance: /
• Density: 1.594±0.06 g/cm3(Predicted)
• PKA: -3.76±0.10(Predicted)
• CAS DataBase Reference: 2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine(1446507-40-9)
• EPA Substance Registry System: 2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine(1446507-40-9)

Safety Data

• Hazardous Substances Data: 1446507-40-9(Hazardous Substances Data)

Usage

Uses

Used in Chemical Industries:
2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine is used as a chemical intermediate for the synthesis of other compounds, given its complex structure and potential reactivity.
Used in Pharmaceutical Development:
2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine may be utilized as a building block in the development of new pharmaceuticals, particularly in the area of medicinal chemistry, where its unique structure could contribute to the creation of novel drug candidates.
Used in Material Science:
2,4-dichloro-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine could be employed in the synthesis of advanced materials, such as polymers or composites, where its specific chemical properties may impart unique characteristics to the final product.

Upstream product

• 39890-95-4 2-chloro-6-trifluoromethylpyridine 
• 155377-05-2 6-(trifluoromethyl)pyridine-2-carboxylic acid methyl ester 
• 1446507-38-5 6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine-2,4-(1H,3H)-dione 
• 368-48-9 2-(trifluoromethyl)pyridine 
• 131747-42-7 6-(trifluoromethyl)pyridine-2-carboxylic acid 
• 189278-27-1 2-bromo-6-(trifluoromethyl)pyridine 
• 887583-52-0 6-(trifluoromethyl)pyridine-2-carbonitrile 

Downstream Products

• 1446502-11-9 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol 
• 1446507-68-1 4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoro-methyl)-pyridin-4-yl)-1,3,5-triazin-2-amine 

Relevant articles and documents

Synthesis and Evaluation of a 18F-Labeled Triazinediamine Analogue for Imaging Mutant IDH1 Expression in Gliomas by PET

Mutations in the isocitrate dehydrogenase gene 1 (IDH1) are common in gliomas. Studies suggest that IDH1 mutations are early events in glioma formation and are important drivers of malignant progression. Herein, we report the synthesis and evaluation of a 18F-labeled triazinediamine analogue, [18F]1, as a candidate radiotracer for noninvasive imaging of IDH1 mutations in gliomas by positron emission tomography (PET). In vitro studies revealed good binding inhibition potency and binding affinity for [18F]1 in IDH1 mutant glioma cell lines, with a half-maximal inhibitory concentration value (IC50) of 54 nM and an equilibrium dissociation constant (Kd) of 40 nM. In vivo studies using mutant IDH1 glioma xenografts showed good tumor uptake of [18F]1 and specific inhibition by the unlabeled 1, but also elevated radioactivity uptake in the bone, suggesting significant defluorination. The results support further optimization of the triazinediamine scaffold to develop a more stable and potent 18F-labeled analogue for PET imaging of IDH1 mutations in gliomas.

Compound with IDH mutant inhibitory activity, preparation method and application thereof

The invention belongs to the field of medicines, and particularly relates to a s-triazine compound with structural characteristics of a general formula I or a pharmaceutically acceptable salt thereof,a pharmaceutical composition and a preparation method thereof, and application of the s-triazine compound or the pharmaceutically acceptable salt and the pharmaceutical composition in preparation ofIDH2 mutant inhibitors. According to the invention, pharmacological experiment results show that the compound disclosed by the invention has an obvious inhibition effect on the activity of an IDH2 mutant (mIDH2), can effectively inhibit the process that alpha-ketoglutaric acid is catalyzed by mIDH2 to generate 2-hydroxyglutaric acid, and can be used for preparing drugs for preventing and/or treating various related diseases caused by IDH2 mutation, wherein the diseases comprise cancers carrying IDH2 mutation.

Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells

The enzymes involved in the metabolic pathways in cancer cells have been demonstrated as important therapeutic targets such as the isocitrate dehydrogenase 2 (IDH2). A series of macrocyclic derivatives was designed based on the marketed IDH2 inhibitor AG-221 by using the conformational restriction strategy. The resulted compounds showed moderate to good inhibitory potential against different IDH2-mutant enzymes. Amongst, compound C6 exhibited better IDH2R140Q inhibitory potency than AG-221, and showed excellent activity of 2-hydroxyglutarate (2-HG) suppression in vitro and its mesylate displayed good pharmacokinetic profiles. Moreover, C6 performed strong binding mode to IDH2R140Q after computational docking and dynamic simulation, which may serve as a good starting point for further development.

IDH2 mutant inhibitor with macrocyclic structure, and medical applications thereof

The present invention discloses a macrocyclic compound with a structure represented by a general formula (I), and a medical use thereof, or a pharmaceutically acceptable salt or solvate thereof, wherein L represents (CRaRb)n, 1-3 CRaRb groups can be replaced by O, NH, S or CH=CH, Z represents CRaRb, O, -NH-C(=O)-, -O-C(=O)- or -NH-, T is CH or N, X represents H, halogen, C3-C6 cycloalkyl, C1-C6 alkyl or C1-C6 haloalkyl, n is 4-10, and Ra and Rb are respectively and independently selected from H, halogen and C1-C6 alkyl. The inhibition effect of the macrocyclic compound provided by the invention on IDH2 is superior to the inhibition effect of the existing drug at a kinase level. According to the invention, the solubility of molecules and the overall fat solubility can be improved, so that the macrocyclic compound has the potential of penetrating through a blood-brain barrier, and is beneficial to solving the problem of brain tumors compared with the prior art.

Substituted triazine-based IDH inhibitor optical isomers and applications thereof

The present invention belongs to the field of medical chemistry, and relates to a class of substituted triazine-based IDH inhibitor optical isomers and applications thereof, and specifically providesoptical isomers represented by a formula I or formula II or hydrates, solvates, crystals or pharmaceutically acceptable salts thereof, and a preparation method thereof, a pharmaceutical composition containing the optical isomers or hydrates, solvates, crystals or pharmaceutically acceptable salts thereof, and uses in treatment of cancer characterized by the presence of mutant isocitrate dehydrogenase 2. According to the present invention, the compounds have good inhibitory activity against IDH2, and can be used as the cancer treatment agents with advantages of high treatment effect and low side effect. The formulas I and II are defined in the specification.

CHEMICAL COMPOUND OF ISOCITRATE DEHYDROGENASE INHIBITOR, AND APPLICATION THEREOF

Provided are a chemical compound of an isocitrate dehydrogenase inhibitor, and an application thereof, belonging to the field of medicinal chemistry; specifically provided is the chemical compound represented by formula I, or its isomer, pharmaceutically acceptable salt, crystal, solvate, or prodrug, as well as their preparation methods and pharmaceutical compositions containing said chemical compound, and an application of said chemical compound or composition. The chemical compound has very good ability to inhibit mutant IDH2 enzyme activity and to inhibit mutant IDH2 neoplastic cells, and may be used for preventing and/or treating a tumor characterized by the presence of mutant IDH2.

Crystal form of triazine IDH inhibitor methanesulfonate (by machine translation)

The invention belongs to the field, and relates to a crystal form of mesylate of IDH inhibitor and a preparation method, and particularly relates to a crystal form of methanesulfonate of (S)-3 - (trifluoromethyl) pyridin -1 -yl) 4 - (6 - (trifluoromethyl) pyridin -2 - amino) -6 - 2 -4 -triaz -1-yl) pyrrolidine 3 -3 -2 - 5 - alcohol and a preparation method thereof, wherein the mesylate crystal form can be used for preparing a medicament for treating cancers, and a preparation method thereof. (by machine translation)

Triazine IDH inhibitor pharmaceutical salt, and preparation method thereof

The invention belongs to the field of medicine chemistry, and relates to a triazine IDH inhibitor pharmaceutical salt or a hydrate, a solvate, or a crystal thereof, and a preparation method and applications, and more specifically relates to a pharmaceutic

Triazine compound, and preparation method and applications thereof

The invention belongs to the field of medicine chemistry, and more specifically relates to a triazine compound, a preparation method thereof, and applications of the triazine compound as a reference substance in (S)-3-(trifluoromethyl)-1-(4-(6-(trifluoromethyl)pyridine-2-yl)-6-(2-(trifluoromethyl)pyridine-4-amino)-1, 3, 5-triazine-2-yl)pyrrolidine-3-ol mesylate bulk drug quality study releated impurity qualitative and/or quantitative analysis.

1,3,5-TRIAZINE DERIVATIVE SALT, CRYSTAL, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF

The invention discloses a crystal of 4-(tert-butoxyamino)-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine compound, a mesylate salt and crystal thereof, a preparation method thereof, a composition containing t