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H-3,5-DIBROMO-D-TYR-OH, a chemical compound with the molecular formula C9H9Br2NO3, is a derivative of the amino acid tyrosine. It features two bromine atoms attached to the 3 and 5 positions of the benzene ring, which gives it unique structural and functional properties. H-3,5-DIBROMO-D-TYR-OH is widely utilized in research and pharmaceutical development, serving as a valuable tool for studying molecular interactions and as a building block for the synthesis of innovative drug candidates.

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  • 50299-42-8 Structure
  • Basic information

    1. Product Name: H-3,5-DIBROMO-D-TYR-OH
    2. Synonyms: 3,5-DIBROMO-D-TYROSINE;D-3,5-DIBROMO-D-TYROSINE;D-3,5-DIBROMOTYROSINE;H-D-TYR(3,5-BR2)-OH;H-3,5-DIBROMO-D-TYR-OH;3,5-Dibromo-D-tyrosin;(R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid;H-D-Tyr(3,5-Br2)-OH 3,5-DibroMo-D-tyrosine
    3. CAS NO:50299-42-8
    4. Molecular Formula: C9H9Br2NO3
    5. Molecular Weight: 338.98
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 50299-42-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 416.6oC at 760 mmHg
    3. Flash Point: 205.7oC
    4. Appearance: /
    5. Density: 2.014g/cm3
    6. Vapor Pressure: 1.1E-07mmHg at 25°C
    7. Refractive Index: 1.668
    8. Storage Temp.: Store at RT.
    9. Solubility: N/A
    10. PKA: 2.16±0.30(Predicted)
    11. CAS DataBase Reference: H-3,5-DIBROMO-D-TYR-OH(CAS DataBase Reference)
    12. NIST Chemistry Reference: H-3,5-DIBROMO-D-TYR-OH(50299-42-8)
    13. EPA Substance Registry System: H-3,5-DIBROMO-D-TYR-OH(50299-42-8)
  • 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: 50299-42-8(Hazardous Substances Data)

50299-42-8 Usage

Uses

Used in Research and Pharmaceutical Development:
H-3,5-DIBROMO-D-TYR-OH is used as a research tool for studying molecular interactions and biological processes. Its unique structure allows scientists to explore its potential in modulating various biological pathways and mechanisms, contributing to a better understanding of disease processes and the development of targeted therapies.
Used in Synthesis of Novel Drug Candidates:
In the pharmaceutical industry, H-3,5-DIBROMO-D-TYR-OH is employed as a building block for the synthesis of new drug candidates. Its distinctive chemical properties make it a promising starting point for the creation of innovative therapeutic agents that can address unmet medical needs and improve patient outcomes.
Used in Drug Design and Development:
H-3,5-DIBROMO-D-TYR-OH is utilized in drug design and development as a structural component that can be modified to create new compounds with specific therapeutic properties. Its versatility in chemical reactions enables the development of drugs with tailored pharmacological profiles, enhancing their efficacy and safety in treating various diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 50299-42-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,2,9 and 9 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 50299-42:
(7*5)+(6*0)+(5*2)+(4*9)+(3*9)+(2*4)+(1*2)=118
118 % 10 = 8
So 50299-42-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m1/s1

50299-42-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid

1.2 Other means of identification

Product number -
Other names D-3,5-dibromotyrosine

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:50299-42-8 SDS

50299-42-8Upstream product

50299-42-8Relevant articles and documents

Bromo-tyrosine alkaloidal compound as well as preparation method and application thereof

-

Paragraph 0039; 0041; 0044, (2018/04/03)

The invention belongs to the field of a medical technology, and concretely relates to a bromo-tyrosine alkaloidal compound as well as a preparation method and application thereof. The invention provides the bromo-tyrosine alkaloidal compound as shown in a general formula I and a general formula II, the preparation method thereof, and the application thereof in preparing an antitumor drug for the first time. The bromo-tyrosine alkaloidal compound has good antineoplastic activity, the preparation method is simple and feasible, the yield is better, and the bromo-tyrosine alkaloidal compound has abroad application prospect.

Bromotyrosine-derived Metabolites from the Sponge Aiolochoria crassa

Gao, Hongfeng,Kelly, Michelle,Hamann, Mark T.

, p. 9717 - 9726 (2007/10/03)

A chemical investigation of secondary metabolites from the sponge Aiolochroia crassa has been performed and five bromotyrosine derivatives (1-5) were identified. Their structures have been assigned on the basis of spectroscopic analysis, of which araplysillin III (2) and hexadellin C (3) possess new structures. The absolute configurations of dibromotyrosine moieties of 2 were determined by HPLC analysis of derivatized constituent amino acids obtained from acid hydrolysis. The stereochemistry of the spirocyclohexadienylisoxazoline moiety of compounds 1-3 was deduced from spectroscopic comparison of the same moiety of aerothionin, of which the absolute configuration was previously assigned by X-ray and CD analysis. - Keywords: antibiotics; marine metabolites; spiro compounds.

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