111821-49-9

Basic information

• Product Name: 4-BORONO-D-PHENYLALANINE B10 ENRICHED
• Synonyms: 4-BORONO-D-PHENYLALANINE;4-BORONO-D-PHENYLALANINE B10 ENRICHED;D-4-PHENYLALANINEBORONIC ACID;4-D-BPA;4-dihydroxyboryl-d-phenylalanine;4-BORONO-D-PHENYLALANINE 97%;4-Borono-D-phenylalanine,97%;4-Borono-D-phenylalanine B10
• CAS NO: 111821-49-9
• Molecular Formula: C₉H₁₂BNO₄
• Molecular Weight: 209.01
• Mol File: 111821-49-9.mol

Chemical Properties

• Boiling Point: 449.281 °C at 760 mmHg
• Flash Point: 225.517 °C
• Appearance: white crystalline powder
• Density: 1.347 g/cm³
• Vapor Pressure: 7.39E-09mmHg at 25°C
• Refractive Index: 1.59
• Storage Temp.: 2-8°C
• PKA: 2.20±0.10(Predicted)
• BRN: 9202597
• CAS DataBase Reference: 4-BORONO-D-PHENYLALANINE B10 ENRICHED(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BORONO-D-PHENYLALANINE B10 ENRICHED(111821-49-9)
• EPA Substance Registry System: 4-BORONO-D-PHENYLALANINE B10 ENRICHED(111821-49-9)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36
• WGK Germany: 3
• RTECS: AY4240000
• HazardClass: IRRITANT
• Hazardous Substances Data: 111821-49-9(Hazardous Substances Data)

Usage

Uses

Used in Cancer Therapy:
4-BORONO-D-PHENYLALANINE B10 ENRICHED is used as a targeted delivery agent for boron in the context of boron neutron capture therapy. The primary application reason is its ability to selectively accumulate in melanoma tissue, allowing for the effective treatment of melanoma cancer cells while minimizing damage to surrounding healthy cells.

InChI:InChI=1/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m1/s1

Upstream product

• 147529-10-0 N-acetyl-4-dihydroxyboranyl-phenylalanine 

Downstream Products

• 476461-61-7 3-[4-(thien-3-yl)phenyl]alanine 
• 476461-63-9 2-amino-3-(2'-fluoro-biphenyl-4-yl)-propionic acid 
• 111771-55-2 C₁₁H₁₆BNO₄ 
• 156617-06-0 2-benzyloxycarbonylamino-3-(4-boronophenyl)propionic acid 
• 1013933-17-9 C₁₅H₂₂BNO₆ 
• 3229-61-6 t-butyl(phenyl)nitroxide 
• 3229-43-4 4-(N-t-butyl-N-oxylamino)methoxybenzene 
• 3229-49-0 C₁₂H₁₆NO₂ 

Relevant articles and documents

A high-yield synthesis of 4-borono-DL-phenylalanine

A high-yield synthesis of 4-borono-DL-phenylalanine has been achieved by a route which features a highly diastereoselective formation of the Z-isomer of a boron-containing dehydroamino acid derivative.

Compositions, methods of preparing amino acids, and nuclear magnetic resonance spectroscopy

The present invention relates to amino acids, complexes, and compounds comprising deuterium and tritium isotopes preferably alpha deuterated amino acids, polypeptides, antibodies, derivatives and saccharide-amino acid complexes and conjugates. In some embodiments, the invention relates to methods of using compounds comprising deuterium for imaging biochemical concentrations and distributions in mammalian tissues using nuclear magnetic resonance spectroscopy. In some embodiments, the invention relates to the used of said amino acids derivatives and complexes in boron neutron capture therapy. In some embodiments, the present invention relates to the preparation of amino acids, polypeptides, antibodies, derivatives and saccharide complexes/conjugates comprising heavy hydrogen isotopes. In some embodiments, the invention relates to racemizing amino acids starting from compositions of any optical purity. In further embodiments, the invention relates to the preparation of amino acids and their N-acyl counterparts with deuterium incorporated at the alpha carbon.