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1366302-52-4

1366302-52-4 Structure

1366302-52-4 Structure
IdentificationBack Directory
[Name]

4,6,12,19-Tetraazadocosane-1,3,7-tricarboxylic acid, 22-[3-[[[2-[[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl](carboxymethyl)amino]ethyl](carboxymethyl)amino]methyl]-4-hydroxyphenyl]-5,13,20-trioxo-, (3S,7S)-
[CAS]

1366302-52-4
[Synonyms]

PSMA11
PSMA-HBED-CC
DKFZ-PSMA-11
PSMA-11 trifluoroacetate
HBED-CC-PSMA(1366302-52-4)
4,6,12,19-Tetraazadocosane-1,3,7-tricarboxylic acid, 22-[3-[[[2-[[[5-(2-carboxyethyl)-2-hydroxypheny
4,6,12,19-Tetraazadocosane-1,3,7-tricarboxylic acid, 22-[3-[[[2-[[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl](carboxymethyl)amino]ethyl](carboxymethyl)amino]methyl]-4-hydroxyphenyl]-5,13,20-trioxo-, (3S,7S)-
[EINECS(EC#)]

246-639-0
[Molecular Formula]

C44H62N6O17
[MDL Number]

MFCD29767877
[MOL File]

1366302-52-4.mol
[Molecular Weight]

946.993
Chemical PropertiesBack Directory
[storage temp. ]

-20°C, protect from light
[solubility ]

To be determined:100.0(Max Conc. mg/mL);105.6(Max Conc. mM)
[form ]

Solid
[color ]

White to off-white
[InChIKey]

QJUIUFGOTBRHKP-DPMCXAKDNA-N
[SMILES]

C(C(O)=O)C[C@@H](C(O)=O)NC(=O)N[C@H](C(O)=O)CCCCNC(=O)CCCCCNC(=O)CCC1=CC=C(O)C(CN(CCN(CC2=CC(CCC(O)=O)=CC=C2O)CC(O)=O)CC(O)=O)=C1 |&1:5,13,r|
Hazard InformationBack Directory
[Description]

PSMA-11 is a small molecule ligand that targets prostate-specific membrane antigen (PSMA) and has the ability to inhibit PSMA activity. PSMA-11 can be used to synthesize 68Ga-PSMA-11, a positron emission tomography (PET) tracer that can be used to image advanced prostate cancer.
[Uses]

The prostate-specific membrane antigen (PSMA) has received increased consideration during the past few years as an excellent target for both imaging and therapy of prostate cancer. ?After many years of outstanding preclin.
[storage]

-20°C, protect from light
[References]

[1] Demirci E, et al. Normal distribution pattern and physiological variants of 68Ga-PSMA-11 PET/CT imaging. Nucl Med Commun. 2016 Nov;37(11):1169-79.
[2] Eder M, et al. 68Ga-complex lipophilicity and the targeting property of a urea-based PSMA inhibitor for PET imaging[J]. Bioconjugate chemistry, 2012, 23(4): 688-697.
[3] Bois F, et al. [68Ga] Ga-PSMA-11 in prostate cancer: a comprehensive review[J]. American Journal of Nuclear Medicine and Molecular Imaging, 2020, 10(6): 349.
[4] ANDREI GAFITA. qPSMA: Semiautomatic Software for Whole-Body Tumor Burden Assessment in Prostate Cancer Using 68Ga-PSMA11 PET/CT.[J]. Journal of Nuclear Medicine, 2019, 60 9: 1277-1283. DOI:10.2967/jnumed.118.224055.
Spectrum DetailBack Directory
[Spectrum Detail]

PSMA-11(1366302-52-4)1HNMR
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