(3(3)R,3(5)S,9(1)R,9(2)R,5S)-5-(tert-Butyl)-1(7)-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-3(5)-carboxylic acid

Name: (3(3)R,3(5)S,9(1)R,9(2)R,5S)-5-(tert-Butyl)-1(7)-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-3(5)-carboxylic acid
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CAS No. 1206524-85-7
Cat. No. CS-M2339
Purity≥98%
MDL No.MFCD31561044

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(3(3)R,3(5)S,9(1)R,9(2)R,5S)-5-(tert-Butyl)-1(7)-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-3(5)-carboxylic acid|CS-M2339

Structure of 1206524-85-7

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Description

This complex quinoxaline derivative features a rigid, polycyclic scaffold with multiple stereocenters and a methoxy-substituted dioxo moiety. The tert-butyl group enhances steric bulk and solubility, while the carboxylic acid enables conjugation or derivatization. Designed for high structural fidelity in advanced synthetic applications, this compound serves as a key intermediate in medicinal chemistry campaigns requiring precise stereochemical control and functional group compatibility.

Application

This complex polycyclic carboxylic acid serves as a robust scaffold for medicinal chemistry exploration, featuring multiple stereocenters and orthogonal functional groups enabling selective derivatization. Its bench-stable, crystalline nature facilitates purification and handling, while the carboxylic acid and methoxy functionalities enable diverse conjugation strategies. The structure supports modular synthesis of bioactive analogs via standard peptide coupling and reductive amination protocols.

General Information

CAS No. 1206524-85-7
Cat. No. CS-M2339
Purity ≥98%
MDL No. MFCD31561044
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₃₈N₄O₇
Molecular Weight 554.63
Synonym(s) S1492_Selleck
SMILES COC1=CC=C2N=C(C(O[C@H]3CN4[C@@H](C3)C(O)=O)=NC2=C1)CCCCC[C@@H]5C[C@H]5OC(N[C@H](C4=O)C(C)(C)C)=O

Computational Chemistry Data

TPSA 140.18
LogP 3.7172
H_Acceptors 8
H_Donors 2
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Quinoxaline compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(3(3)R,3(5)S,9(1)R,9(2)R,5S)-5-(tert-Butyl)-1(7)-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-3(5)-carboxylic acid

CAS No. 1206524-85-7

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