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Borofalan (10B)

CAT: 0127-BUP07838-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07838-06Size:500 mg
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CAS Number
80994-59-8
Synonyms
L-4-Boronophenylalanine
Purity
=98%
Smiles
C([C@@H](C(O)=O)N)C1=CC=C([10B](O)O)C=C1

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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