(R)-5-(tert-Butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic acid

Name: (R)-5-(tert-Butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic acid
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CAS No. 817562-90-6
Cat. No. CS-0069538
Molecule weight700.90
Purity≥97%
MDL No.None

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(R)-5-(tert-Butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic acid|CS-0069538

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General Information

CAS No. 817562-90-6
Cat. No. CS-0069538
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₅H₆₄N₄O₁₀
Molecular Weight 700.90
Synonym(s) 2-(R)-2-(4,7,10-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododec-1-yl)-pentanedioic acid, 1-tert-butyl ester
SMILES O=C(OC(C)(C)C)[C@@H](CCC(O)=O)N1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1

Description

(R)-5-(tert-Butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic acid features a rigid macrocyclic scaffold bearing three pendant tert-butyl ester groups, enabling efficient conjugation and solubility enhancement in aqueous systems. This design supports robust chelation and bioconjugation applications under physiological conditions.

Application

(R)-5-(tert-Butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic acid serves as a versatile bifunctional building block for constructing macrocyclic scaffolds. Its tert-butyl ester and amide functionalities enable orthogonal deprotection strategies, while the pendant carboxylic acid facilitates conjugation via standard coupling reactions. The molecule’s high stability under bench conditions and compatibility with diverse reaction environments support efficient synthesis of complex heterocyclic systems and peptide-coupled constructs.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 155.46
LogP 2.8082
H_Acceptors 13
H_Donors 1
Rotatable_Bonds 11

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(R)-5-(tert-Butoxy)-5-oxo-4-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)pentanoic acid

CAS No. 817562-90-6

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