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3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one is a complex heterocyclic chemical compound characterized by the presence of two oxadiazole rings, an amino group, and a bromo-fluoro substituted phenyl group. This unique structure endows the compound with potential reactivity and applications in various fields, particularly organic chemistry and pharmaceuticals, warranting further research and investigation.

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  • 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one

    Cas No: 914471-43-5

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  • 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one

    Cas No: 914471-43-5

  • USD $ 60.0-60.0 / Gram

  • 1 Gram

  • 200 Kilogram/Month

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  • 914471-43-5 Structure
  • Basic information

    1. Product Name: 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
    2. Synonyms: 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one;1,2,4-Oxadiazol-5(4H)-one, 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-;3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazole-5(4H)-one
    3. CAS NO:914471-43-5
    4. Molecular Formula: C10H5BrFN5O3
    5. Molecular Weight: 342.0808032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 914471-43-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 480.8±55.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 2.19±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -1.94±0.47(Predicted)
    10. CAS DataBase Reference: 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one(914471-43-5)
    12. EPA Substance Registry System: 3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one(914471-43-5)
  • 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: 914471-43-5(Hazardous Substances Data)

914471-43-5 Usage

Uses

Used in Organic Chemistry:
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one is used as a building block for the synthesis of more complex organic molecules due to its reactive functional groups and heterocyclic nature.
Used in Pharmaceutical Industry:
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one is used as a potential drug candidate for the development of new therapeutic agents. Its unique structure and potential reactivity may contribute to the discovery of novel pharmacological properties and mechanisms of action.
Used in Medicinal Chemistry Research:
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one is used as a research tool in medicinal chemistry to explore its potential as a lead compound for the treatment of various diseases and disorders. Its unique structural features and chemical properties make it an interesting target for further investigation and optimization.

Check Digit Verification of cas no

The CAS Registry Mumber 914471-43-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,4,4,7 and 1 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 914471-43:
(8*9)+(7*1)+(6*4)+(5*4)+(4*7)+(3*1)+(2*4)+(1*3)=165
165 % 10 = 5
So 914471-43-5 is a valid CAS Registry Number.

914471-43-5SDS

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 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one

1.2 Other means of identification

Product number -
Other names 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one

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:914471-43-5 SDS

914471-43-5Relevant articles and documents

2, 3-dioxygenase inhibitor containing substituted amidino structure as well as preparation method and application thereof

-

Paragraph 0019; 0025; 0032-0033, (2020/10/06)

The invention belongs to the field of drug synthesis, and relates to a 1,2,5-oxadiazole compound csubstituted amidino group as shown in a general formula (I) and pharmaceutically acceptable salts thereof, and a preparation method and medical application o

2,3-dioxygenase inhibitor containing thio four-membered ring structure as well as preparation method and application of 2, 3-dioxygenase inhibitor

-

Paragraph 0020; 0027-0028, (2020/10/04)

The invention belongs to the field of drug synthesis, and relates to a 1,2,5-oxadiazole compound containing a thio four-membered ring shown in a general formula (I) and pharmaceutically acceptable salts thereof, and a preparation method and medical applic

Design, synthesis, and biological evaluation of 1,2,5-oxadiazole-3-carboximidamide derivatives as novel indoleamine-2,3-dioxygenase 1 inhibitors

Song, Xiaohan,Sun, Pu,Wang, Jiang,Guo, Wei,Wang, Yi,Meng, Ling-hua,Liu, Hong

, (2020/01/23)

Indoleamine 2,3-dioxygenase 1 (IDO1) is the enzyme catalyzing the oxidative metabolism of tryptophan, which accounts for cancer immunosuppression in tumor microenvironment. Several compounds targeting IDO1 have been reported and epacadostat shows strong i

Oxadiazole derivative, preparation method and applications thereof

-

Paragraph 0069; 0070; 0075; 0076, (2020/05/30)

The invention relates to an oxadiazole derivative, a preparation method and applications thereof, wherein the oxadiazole derivative has a structure represented by a formula (I), and R1, X and R2 are defined in the specification.

DEUTERATED INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION THEREOF

-

Paragraph 0167-0169, (2020/12/05)

The present invention belongs to the technical field of medicine, and particularly relates to a compound represented by Formula I, a pharmaceutically acceptable salt thereof, and a stereoisomer thereof, R4, R4′, R5, R

A kind of IDO inhibitor and use thereof

-

Paragraph 0300; 0304-0306, (2019/07/11)

The embodiment of the invention provides general formula (I) compound or its pharmaceutically acceptable salts, stereoisomers, a tautomeric form each other, polymorphs, solvate, prodrug, metabolite or isotope derivatives, wherein the substituents R1

IDO1 inhibitor (I) containing substituted phosphonamide ester derivative, preparation method and application of inhibitor

-

Paragraph 0068; 0069; 0076; 0077, (2019/04/02)

The invention relates to the field of pharmaceutical chemistry, in particular to an IDO1 inhibitor (I) containing a substituted phosphonamide ester derivative and a preparation method of the inhibitor. Pharmacodynamic and pharmacokinetic experiments prove

1,2,5-oxadiazole derivative and purpose thereof

-

Paragraph 0036; 0037; 0047; 0048; 0049, (2019/04/17)

The invention discloses a compound having the following general formula (I), wherein K is selected from a cycloalkane group shown in the following formula. The invention also discloses an indoleamine-2,3-dioxygenase inhibitor comprising the compound and a

IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF

-

Paragraph 0078; 0079; 0086; 0087, (2019/06/14)

A compound as an indoleamine-2,3-dioxygenase 1 (IDO1) inhibitor, and an application thereof in the field of IDO1-related diseases, and in particular a compound as shown in formula (I) and a pharmaceutically acceptable salts thereof.

Discovery of phosphonamidate IDO1 inhibitors for the treatment of non-small cell lung cancer

Du, Qianming,Feng, Xi,Wang, Yinuo,Xu, Xi,Zhang, Yan,Qu, Xinliang,Li, Zhiyu,Bian, Jinlei

, (2019/08/26)

Targeting indoleamine 2,3-dioxygenase 1 (IDO1) has been identified as an attractive approach for the development of cancer immunotherapy. In this study, a series of phosphonamidate ester containing compounds were designed, synthesized and evaluated for their inhibitory activities against IDO1. Among them, compounds 16, 17, and 26 with good IDO1 inhibitory (HeLa IDO1 IC50 = 10–21 nM, hIDO1 IC50 = 78–121 nM) activities were selected for further investigation and showed good physicochemical properties. Furthermore, based on comparable PK profile and excellent IDO2/TDO inhibitory potency, representative compound 16 was selected for further bio-evaluation and characterized with good efficacy in suppressing lung metastasis (77% inhibition rate) of Lewis cells in vivo. Thus, compound 16 could be a potential and efficacious agent for further evaluation.

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