Home Aminos 2-amino-3-(4-borono-2-fluorophenyl)propanoic acid

2-amino-3-(4-borono-2-fluorophenyl)propanoic acid

CAS No.:
292050-22-7
Catalog Number:
AG01DKCH
Molecular Formula:
C9H11BFNO4
Molecular Weight:
226.9973
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Product Description
Catalog Number:
AG01DKCH
Chemical Name:
2-amino-3-(4-borono-2-fluorophenyl)propanoic acid
CAS Number:
292050-22-7
Molecular Formula:
C9H11BFNO4
Molecular Weight:
226.9973
MDL Number:
MFCD31916488
IUPAC Name:
2-amino-3-(4-borono-2-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H11BFNO4/c11-7-4-6(10(15)16)2-1-5(7)3-8(12)9(13)14/h1-2,4,8,15-16H,3,12H2,(H,13,14)
InChI Key:
GGGVVBGRTWMSPX-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1F)B(O)O)N
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
226.998g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
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In vivo 19F MR imaging and spectroscopy for the BNCT optimization. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20090701
PET pharmacokinetic analysis to estimate boron concentration in tumor and brain as a guide to plan BNCT for malignant cerebral glioma. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20090701
Boron neutron capture therapy for recurrent oral cancer and metastasis of cervical lymph node. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20090701
Positron emission tomography and [18F]BPA: a perspective application to assess tumour extraction of boron in BNCT. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20090701
Uptake of 4-borono-2-[18F]fluoro-L-phenylalanine in sporadic and neurofibromatosis 2-related schwannoma and meningioma studied with PET. European journal of nuclear medicine and molecular imaging 20070101
Evaluation of pharmacokinetics of 4-borono-2-(18)F-fluoro-L-phenylalanine for boron neutron capture therapy in a glioma-bearing rat model with hyperosmolar blood-brain barrier disruption. Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20051101
[Molecular imaging for brain tumor using positron emission tomography]. Nihon rinsho. Japanese journal of clinical medicine 20050901
MicroPET-based pharmacokinetic analysis of the radiolabeled boron compound [18F]FBPA-F in rats with F98 glioma. Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20041101
Evaluation of 4-borono-2-18F-fluoro-L-phenylalanine-fructose as a probe for boron neutron capture therapy in a glioma-bearing rat model. Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20040201
Prognostic and therapeutic indicator of fluoroboronophenylalanine positron emission tomography in patients with gliomas. Clinical cancer research : an official journal of the American Association for Cancer Research 20031201
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