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1025796-31-9

1025796-31-9 Structure

1025796-31-9 Structure
IdentificationBack Directory
[Name]

(S)-Di-Tert-Butyl 2-(3-((S)-6-Amino-1-(Tert-Butoxy)-1-Oxohexan-2-Yl)Ureido)Pentanedioate
[CAS]

1025796-31-9
[Synonyms]

min. 96%, min
tert-Butyl-DCL (PSMA inhibitor)
(S)-Di-Tert-Butyl 2-(3-((S)-6-Amino-1-(Tert-Butoxy)-1-Oxohexan-2-Yl)Ureido)Pentanedioate
(S)-Di-Tert-Butyl 2-(3-((S)-6-Amino-1-(Tert-Butoxy)-1-Oxohexan-2-Yl)Ureido)Pentanedioate(WXC02272)
ditert-butyl (2S)-2-[[(2S)-6-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
(S)?-?DI-?TERT-?BUTYL 2-?(3-?((S)?-?6-?AMINO-?1-?(TERT-?BUTOXY)?-?1-?OXOHEXAN-?2-?YL)?UREIDO)?PENTANEDIOATE; MIN. 96?%, MIN
L-Glutamic acid, N-[[[(1S)-5-amino-1-[(1,1-dimethylethoxy)carbonyl]pentyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester
[Molecular Formula]

C24H45N3O7
[MDL Number]

MFCD28898592
[MOL File]

1025796-31-9.mol
[Molecular Weight]

487.63
Chemical PropertiesBack Directory
[Boiling point ]

596.6±50.0 °C(Predicted)
[density ]

1.072±0.06 g/cm3(Predicted)
[solubility ]

Water: Soluble
[form ]

Solid-Liquid Mixture
[pka]

12.09±0.46(Predicted)
[color ]

Colorless to off-white
[InChIKey]

IXWXFSGSTGXUFO-IRXDYDNUSA-N
[SMILES]

C(OC(C)(C)C)(=O)[C@H](CCC(OC(C)(C)C)=O)NC(N[C@H](C(OC(C)(C)C)=O)CCCCN)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

Appearance: White powder
Purity (HPLC): ≥98.0%
Acetate content ≤12.0%
Water content ≤8.0%
Peptide content ≥80.0%
Endotoxin ≤50EU/mg
Amino acid composition analysis ≤±10%
[Uses]

(S)-Di-tert-butyl 2-(3-((S)-6-Amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate is used as a reactant in the synthesis of novel multivalent fluorescent inhibitors with high affinity to prostate cancer.
[References]

[1] JOANA F. SANTOS, ANTÓNIO PAULO*   Synthesis and Preclinical Evaluation of PSMA-Targeted 111In-Radioconjugates Containing a Mitochondria-Tropic Triphenylphosphonium Carrier[J]. Molecular Pharmaceutics, 2023, 21 1: 216-233. DOI: 10.1021/acs.molpharmaceut.3c00787
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl-DCL (PSMA inhibitor)(1025796-31-9)1HNMR
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