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1026987-94-9

1026987-94-9 Structure

1026987-94-9 Structure
IdentificationBack Directory
[Name]

(S)-5-tert-butoxy-4-(3-((S)-1,5-di-tert-butoxy-1,5-dioxopentan-2-yl)ureido)-5-oxopentanoic acid
[CAS]

1026987-94-9
[Synonyms]

2-[3-(1,3-bis-tert-butoxycarbonylpropyl)ureido]pentanedioic acid 1-tert-butyl ester
(S)-5-tert-butoxy-4-(3-((S)-1,5-di-tert-butoxy-1,5-dioxopentan-2-yl)ureido)-5-oxopentanoic acid
[Molecular Formula]

C23H40N2O9
[MDL Number]

MFCD28898588
[MOL File]

1026987-94-9.mol
[Molecular Weight]

488.57
Chemical PropertiesBack Directory
[Melting point ]

120-123°C
[Boiling point ]

627.6±55.0 °C(Predicted)
[density ]

1.139±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

4.46±0.10(Predicted)
[color ]

White to Off-White
[InChIKey]

KBDDHSXZOLZZGF-GJZGRUSLSA-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)CCC(O)=O)=O
Questions And AnswerBack Directory
[Uses]

(S)-5-tert-Butoxy-4-(3-((s)-1,5-di-tert-butoxy-1,5-dioxopentan-2-yl)ureido)-5-oxopentanoic Acid is used as a reactant in the synthesis of a DUPA-paclitaxel conjugate for antigen targeted therapy of prostate cancer.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-5-tert-butoxy-4-(3-((S)-1,5-di-tert-butoxy-1,5-dioxopentan-2-yl)ureido)-5-oxopentanoic acid(1026987-94-9)1HNMR
Hazard InformationBack Directory
[in vivo]

DUPA-targeted Docetaxel (DTX) conjugate with longer spacer has no toxicity in major organs of treated mice[3].

[storage]

Store at -20°C
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