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ETHYL 4-CHLORO-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE is a complex chemical compound that belongs to the class of Pyrrolo[2,1-f][1,2,4]triazines. These are polycyclic aromatic compounds characterized by a pyrrole ring fused to a 1,2,4-triazine ring system. ETHYL 4-CHLORO-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE is notable for its ethyl, chloro, and carboxylate functional groups, which confer it with unique chemical properties. Due to its complexity and rarity, it is primarily found in the context of chemical research and advanced organic synthesis, with limited information available on its uses, safety, toxicity, and environmental impact.

427878-41-9

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427878-41-9 Usage

Uses

Used in Chemical Research:
ETHYL 4-CHLORO-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE is used as a research compound for exploring its chemical properties and potential applications in advanced organic synthesis. Its unique structure and functional groups make it a subject of interest for scientists studying the reactivity and behavior of complex molecules.
Used in Advanced Organic Synthesis:
In the field of advanced organic synthesis, ETHYL 4-CHLORO-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE is employed as a building block or intermediate in the synthesis of more complex molecules. Its distinct properties may offer opportunities for the development of novel chemical entities with potential applications in various industries. However, due to the limited information available, its specific uses in this context are not well-established.

Check Digit Verification of cas no

The CAS Registry Mumber 427878-41-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,2,7,8,7 and 8 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 427878-41:
(8*4)+(7*2)+(6*7)+(5*8)+(4*7)+(3*8)+(2*4)+(1*1)=189
189 % 10 = 9
So 427878-41-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H10ClN3O2/c1-3-16-10(15)7-4-14-8(6(7)2)9(11)12-5-13-14/h4-5H,3H2,1-2H3

427878-41-9Relevant academic research and scientific papers

Hetero-aromatic compound and its use in medicine

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Paragraph 1399; 1402-1404, (2019/07/04)

The invention provides a hetero-aromatic compound or a stereisomer, geometric isomer, tautomer, despinner, nitrogen oxide, hydrate, solvate, metabolite, metabolism precursor and pharmaceutically acceptable salt or prodrug thereof, which is used for treating proliferative diseases. The invention also discloses a pharmaceutical composition containing the compound and an application of the compound or pharmaceutical composition thereof in preparation of a medicine for treating proliferative diseases.

Exploration of novel pyrrolo[2,1-f][1,2,4]triazine derivatives with improved anticancer efficacy as dual inhibitors of c-Met/VEGFR-2

Shi, Wei,Qiang, Hao,Huang, Dandan,Bi, Xinzhou,Huang, Wenlong,Qian, Hai

, p. 814 - 831 (2018/09/29)

c-Met and VEGFR-2 have attracted interest as novel targets for treatment of various cancers. Aiming to develop potent dual c-Met and VEGFR-2 inhibitors, a series of pyrrolo[1,2-f][1,2,4]triazine derivatives were designed and synthesized. The majority of target compounds exhibited potent antiproliferative effect against c-Met addictive cancer cell lines with IC50 values ranged from 1.2 to 24.6 nM, especially 27a. In-depth studies demonstrated 27a has great selectivity to c-Met and VEGFR-2, and potent inhibitory activity against them (IC50 of 2.3 ± 0.1 nM and 5.0 ± 0.5 nM). Furthermore, it also showed the highest anticancer activity with IC50 of 0.71 ± 0.16 nM (better than the positive compound) against BaF3-TPR-Met and 37.4 ± 0.311 nM (comparable to the positive compound) against HUVEC-VEGFR2, consistent with that in c-Met sensitive tumor cell lines. Subsequently, physicochemical and pharmacokinetic characterization indicated 27a has favorable druggability and pharmacokinetic properties. Further docking studies suggested a common mode of interaction at the ATP-binding site of c-Met and VEGFR-2, also indicating that 27a was a potential candidate for cancer therapy deserving further study.

Commercial synthesis of a pyrrolotriazine-fluoroindole intermediate to brivanib alaninate: Process development directed toward impurity control

Pesti, Jaan A.,LaPorte, Thomas,Thornton, John E.,Spangler, Lori,Buono, Frederic,Crispino, Gerard,Gibson, Frank,Lobben, Paul,Papaioannou, Christos G.

, p. 89 - 102 (2014/05/20)

The development of a practical, commercial process for the preparation of 4-fluoro-2-methyl-indol-5-ol and its subsequent coupling with a pyrrolotriazine to form an advanced intermediate of the oncology therapy brivanib alaninate is described. A key aspect is the multikilogram-scale preparation of the fluoroindole intermediate from trifluoronitrobenzene and the subsequent coupling while achieving impurity minimalization. As brivanib alaninate is a high-dose drug, the synthesis of highquality API with low levels of impurities is critical.

Development of a practical synthesis of a p38 kinase inhibitor via a safe and robust amination

Shi, Zhongping,Kiau, Susanne,Lobben, Paul,Hynes Jr., John,Wu, Hong,Parlanti, Luca,Discordia, Robert,Doubleday, Wendel W.,Leftheris, Katerina,Dyckman, Alaric J.,Wrobleski, Stephen T.,Dambalas, Konstantinos,Tummala, Srinivas,Leung, Simon,Lo, Ehrlic

, p. 1618 - 1625 (2013/02/23)

The development of a practical synthesis for a p38 kinase inhibitor is described. The key advances include an improved route to the key intermediate, a substituted pyrrole, and a subsequent animation utilizing O-(4-nitrobenzoyl)- hydroxylamine, which provides a safe, scalable, and robust amination method. The new protocol was successfully demonstrated to generate 1.6 kg of API in seven steps and 26% overall yield.

Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H- indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epide

Gavai, Ashvinikumar V.,Fink, Brian E.,Fairfax, David J.,Martin, Gregory S.,Rossiter, Lana M.,Holst, Christian L.,Kim, Soong-Hoon,Leavitt, Kenneth J.,Mastalerz, Harold,Han, Wen-Ching,Norris, Derek,Goyal, Bindu,Swaminathan, Shankar,Patel, Bharat,Mathur, Arvind,Vyas, Dolatrai M.,Tokarski, John S.,Chiang, Yu,Oppenheimer, Simone,Hongjian, Zhang,Marathe, Punit,Fargnoli, Joseph,Lee, Francis Y.,Wong, Tai W.,Vite, Gregory D.

supporting information; experimental part, p. 6527 - 6530 (2010/03/26)

Structure-activity relationships in a series of 4-[1H-indazol-5-ylamino] pyrrolo[2,1-f][1,2,4]triazine-6-carbamates identified dual human epidermal growth factor receptor (HER)1/HER2 kinase inhibitors with excellent biochemical potency and kinase selectiv

Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38α MAP kinase inhibitors

Wrobleski, Stephen T.,Lin, Shuqun,Hynes Jr., John,Wu, Hong,Pitt, Sidney,Shen, Ding Ren,Zhang, Rosemary,Gillooly, Kathleen M.,Shuster, David J.,McIntyre, Kim W.,Doweyko, Arthur M.,Kish, Kevin F.,Tredup, Jeffrey A.,Duke, Gerald J.,Sack, John S.,McKinnon, Murray,Dodd, John,Barrish, Joel C.,Schieven, Gary L.,Leftheris, Katerina

, p. 2739 - 2744 (2008/12/21)

A novel series of compounds based on the pyrrolo[2,1-f][1,2,4]triazine ring system have been identified as potent p38α MAP kinase inhibitors. The synthesis, structure-activity relationships (SAR), and in vivo activity of selected analogs from this class o

Design, synthesis, and anti-inflammatory properties of orally active 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38α mitogen-activated protein kinase inhibitors

Hynes Jr., John,Dyckman, Alaric J.,Lin, Shuqun,Wrobleski, Stephen T.,Wu, Hong,Gillooly, Kathleen M.,Kanner, Steven B.,Lonial, Herinder,Loo, Derek,McIntyre, Kim W.,Pitt, Sidney,Ding, Ren Shen,Shuster, David J.,Yang, XiaoXia,Zhang, Rosemary,Behnia, Kamelia,Zhang, Hongjian,Marathe, Punit H.,Doweyko, Arthur M.,Tokarski, John S.,Sack, John S.,Pokross, Matthew,Kiefer, Susan E.,Newitt, John A.,Barrish, Joel C.,Dodd, John,Schieven, Gary L.,Leftheris, Katerina

, p. 4 - 16 (2008/09/18)

A novel structural class of p38 mitogen-activated protein (MAP) kinase inhibitors consisting of substituted 4-(phenylamino)-pyrrolo[2,1-f][1,2,4] triazines has been discovered. An initial subdeck screen revealed that the oxindole-pyrrolo[2,1-f][1,2,4]tria

Process for preparing salts of 4-[[5-[(cyclopropylamino)carbonyl]-2-methylphenyl]amino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide and novel stable forms produced therein

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Page/Page column 15; 20-21, (2010/11/24)

Processes are provided for selectively preparing novel stable crystalline salt forms, selectively and consistently, namely, preparing Form N-1 of the methanesulfonic acid salt, and Form N-1 and Form N-4 of the hydrochloric acid salt of the p38 kinase inhibitor 4-[[5-[(cyclopropylamino)carbonyl]-2-methylphenyl]amino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide. The processes preferably employ solvent systems including formic acid/acetone and formic acid/methylethyl ketone which produce crystals having suitable flow properties and desired particle size, and solvents such as N,N-dimethylformamide and N,N-dimethylacetamide may be employed as well. Novel Form N-1 crystals of the Form N-1 and Form N-4 crystals of the hydrochloride salt and Form N-1 crystals of the methanesulfonic acid salt of the above free base, pharmaceutical compositions containing such novel forms and a method of treating p38 kinase associated conditions, including rheumatoid arthritis are also provided.

New dual inhibitors of EGFR and HER2 protein tyrosine kinases

Fink, Brian E.,Vite, Gregory D.,Mastalerz, Harold,Kadow, John F.,Kim, Soong-Hoon,Leavitt, Kenneth J.,Du, Karen,Crews, Donald,Mitt, Toomas,Wong, Tai W.,Hunt, John T.,Vyas, Dolatrai M.,Tokarski, John S.

, p. 4774 - 4779 (2007/10/03)

A novel series of dual EGFR and HER2 inhibitors based on the pyrrolo[2,1-f][1,2,4]triazine nucleus is described. A general route toward their synthesis, which enables functionalization at multiple sites, has been developed. Biological evaluation in enzyma

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