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PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE, a member of the pyrrolo-triazine family, is a chemical compound with the molecular formula C5H3N5O2. It is characterized by its unique structure and diverse range of applications. PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE's properties make it a valuable asset in various fields, including pharmaceuticals, organic synthesis, and material science. Its structure and reactivity enable the development of novel drugs, catalysts, and functional materials. Furthermore, PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE has been studied for its potential biological activities and therapeutic properties, positioning it as an important target for research and development in the scientific community.

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  • 918538-04-2 Structure
  • Basic information

    1. Product Name: PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE
    2. Synonyms: PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE;Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione;pyrrolo[1,2-f][1,2,4]triazine-2,4(1H,3H)-dione;Pyrrolo[2,1-f][1,2,4]tria...;Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione (96%);PYRROLO[1,2-D][1,2,4]TRIAZINE-2,4(1H,3H)-DIONE;Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)
    3. CAS NO:918538-04-2
    4. Molecular Formula: C6H5N3O2
    5. Molecular Weight: 151.1228
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 918538-04-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.74±0.1 g/cm3 (20 ºC 760 Torr)
    6. Refractive Index: 1.793
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 4.92±0.20(Predicted)
    10. CAS DataBase Reference: PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE(918538-04-2)
    12. EPA Substance Registry System: PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE(918538-04-2)
  • 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: 918538-04-2(Hazardous Substances Data)

918538-04-2 Usage

Uses

Used in Pharmaceutical Industry:
PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE is used as a building block for the development of novel drugs. Its unique structure and reactivity allow for the creation of new pharmaceutical compounds with potential therapeutic properties.
Used in Organic Synthesis:
In the field of organic synthesis, PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE serves as a versatile intermediate for the synthesis of various organic compounds. Its reactivity enables the formation of new chemical entities with potential applications in different industries.
Used in Material Science:
PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE is utilized as a component in the development of functional materials. Its unique structure contributes to the creation of materials with specific properties, such as catalytic activity or sensing capabilities.
Used in Research and Development:
PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE is employed as a target for research and development in the scientific community. Its potential biological activities and therapeutic properties make it an interesting subject for further exploration and innovation.

Check Digit Verification of cas no

The CAS Registry Mumber 918538-04-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,8,5,3 and 8 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 918538-04:
(8*9)+(7*1)+(6*8)+(5*5)+(4*3)+(3*8)+(2*0)+(1*4)=192
192 % 10 = 2
So 918538-04-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H5N3O2/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11)

918538-04-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione

1.2 Other means of identification

Product number -
Other names 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione

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:918538-04-2 SDS

918538-04-2Relevant articles and documents

Substituted heteroaryl compounds and compositions and uses thereof

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, (2017/12/27)

The invention provides a substituted heteroaryl compound and a composition thereof, and applications of the compound and the composition. The compound is a compound as shown in a formula I, or stereoisomer, tautomer, oxynitride, solvate, metabolite, pharmaceutically-acceptable salt or prodrug of the compound as shown in the formula I. The invention also provides a pharmaceutical composition containing the above-mentioned compound; and the above-mentioned compound and the pharmaceutical composition are capable of adjusting the activity of JAK kinases and are applied in prevention, treatment, therapy and alleviation of JAK kinase mediated diseases or disorders.

MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF

-

Paragraph 0082; 0083, (2018/04/11)

Selective mTOR inhibitors of formulas (I)-(III), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from abnormal cell growth, functions, or behaviors mediated by an mTOR kinase and/or one or more PI3K enzyme, are provided. Such diseases and disorder include cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

Heterocyclic amines Hedgehog signal pathway inhibitor

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, (2017/10/06)

The invention relates to the field of biological medicine, in particular to a heterocyclic amine compound and an application thereof, namely a general formula (I) compound and acceptable salt in the pharmaceutical field. The compound can be used in the Hedgehog signal transduction inhibitor application and various medical applications (please see the formula in the specification). The invention further relates to a preparation method with the general formula (I).

Synthesis and medical application of pyrrolo-[2,1-f] [1,2,4] triazine mother nucleus compound

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, (2017/07/31)

The invention discloses a synthesis and medical application of pyrrolo-[2,1-f] [1,2,4] triazine mother nucleus compound. The compound belongs to a novel-structure compound. The synthesis method is high in operating safety, mild in reaction condition and suitable for industrial production. The activity and the selectivity of BTK kinase and the in-vitro proliferation activity of a leukemia cell line are test, it is verified that the compound has the selective and irreversible inhibition effect on the BTK kinase, and has the different-degree inhibition effect on leukemia cells. According to measurement, the compound also has the good anti-arthritic activity on a collagen-induced arthritis (rCIA) model. The pyrrolo-[2,1-f] [1,2,4] triazine mother nucleus compound can be used for preparing medicine for treating arthritis and leukemia.

SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE

-

, (2016/12/22)

The present invention provides novel heteroaryl compounds, pharmaceutical acceptable salts and formulations thereof useful in preventing, treating or lessening the severity of a JAK-mediated disease. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of JAK-mediated disease.

Design, synthesis, and evaluation of pyrrolo[2,1-f][1,2,4]triazine derivatives as novel hedgehog signaling pathway inhibitors

Xin, Minhang,Zhang, Liandi,Tang, Feng,Tu, Chongxing,Wen, Jun,Zhao, Xinge,Liu, Zhaoyu,Cheng, Lingfei,Shen, Han

, p. 1429 - 1440 (2014/03/21)

A novel series of Hh signaling pathway inhibitors were designed by replacing the pyrimidine skeleton of our earlier reported lead compound 1 with pyrrolo[2,1-f][1,2,4]triazine scaffold. Starting from this new scaffold, SAR exploration was investigated based on structural modification on A-ring, C-ring and D-ring. And several much potent compounds were studies in vivo to profile their pharmacokinetic properties. Finally, optimization leads to the identification of compound 19a, a potent Hh signaling pathway inhibitor with superior potency in vitro and satisfactory pharmacokinetic properties in vivo.

PYRROLOTRIAZINE KINASE INHIBITORS

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, (2011/04/19)

The invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity thereby making them useful as anticancer agents and for the treatment of Alzheimer's Disease.

PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS AND METHODS OF TREATING KINASE-ASSOCIATED CONDITIONS THEREWITH

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Page/Page column 15, (2008/06/13)

The invention relates to at least one pyrrolotriazine derivative, at least one pharmaceutical composition comprising at least one pyrrolotriazine derivative, and at least one method of using at least one pyrrolotriazine derivative to treat at least one ki

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