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Borofalan

CAT: 0804-HY-129812-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129812-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80994-59-8
UNSPSC Description
Borofalan-10B can be used for Boron neutron capture research (BNCT). Borofalan-10B can be used for the research of recurrent or locally advanced head and neck cancer[1].
Target Antigen
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Cancer
Purity
99.59
Solubility
H2O : 4 mg/mL (ultrasonic;warming;adjust pH to 11 with NaOH;heat to 70°C)
Smiles
OC([C@@H](N)CC1=CC=C(C=C1)[10B](O)O)=O
Molecular Weight
208.21
References & Citations
[1]Hirose K, et al. Boron neutron capture therapy using cyclotron-based epithermal neutron source and borofalan (10B) for recurrent or locally advanced head and neck cancer (JHN002): An open-label phase II trial. Radiother Oncol. 2021 Feb;155:182-187.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Clinical Information
Launched

Chemical Information

Borofalan (10B)

Borofalan (10B) is a boronated phenylalanine and boron (boron-10) carrier that may be used in boron neutron capture therapy (BNCT), with potential antineoplastic activity. Upon administration, borofalan (10B) is absorbed mostly by tumor cells. When exposed to neutron irradiation, borofalan (10B) absorbs neutrons and self-destructs releasing short-range alpha radiation and 'recoil' lithium in tumor cells, resulting in alpha radiation-induced tumor cell death. This highly selective, localized radiotargeting of tumor cells spares adjacent normal tissues.

CAS Number80994-59-8
PubChem CID25033700
IUPAC Name(2S)-2-amino-3-(4-(10B)boronophenyl)propanoic acid
Molecular FormulaC9H12BNO4
Molecular Weight208.21
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity216
SMILES
[10B](C1=CC=C(C=C1)C[C@@H](C(=O)O)N)(O)O
InChI
InChI=1S/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-/m0/s1/i10-1
InChIKey
NFIVJOSXJDORSP-ULMHTEDTSA-N
Chemical Structure
2D Structure
2D structure of Borofalan (10B)
CAS: 80994-59-8
CID: 25033700
Formula: C9H12BNO4
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.21
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass208.0895697
Monoisotopic Mass208.0895697
Topological Polar Surface Area104 Ų
Heavy Atom Count15
Formal Charge0
Complexity216
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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