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Sigma-Aldrich

7-Amino-5-thia-2-azaspiro[3.4]octane-2-carboxylic acid-5,5-dioxide 1,1-dimethylethyl ester

95%

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About This Item

Empirical Formula (Hill Notation):
C11H20N2O4S
CAS Number:
1453315-76-8
Molecular Weight:
276.35
MDL number:
MFCD27664860
UNSPSC Code:
12352100
PubChem Substance ID:
329768611
NACRES:
NA.22

Assay

95%

form

solid

storage temp.

2-8°C

SMILES string

NC(CS1(=O)=O)CC21CN(C(OC(C)(C)C)=O)C2

InChI

1S/C11H20N2O4S/c1-10(2,3)17-9(14)13-6-11(7-13)4-8(12)5-18(11,15)16/h8H,4-7,12H2,1-3H3

InChI key

HIXKKZAKBLIEPB-UHFFFAOYSA-N

Application

Spirocyclic building block was first synthesized by Carreira and coworkers which provides a new area of chemical space with straightforward functional handles for further diversification.

Other Notes

Synthesis of Novel Azaspiro[3.4]octanes as Multifunctional Modules in Drug Discovery

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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Articles

Spirocyclic Building Blocks for Scaffold Assembly

Spirocyclic modules containing four-membered rings are currently of growing interest to discovery chemists.

Related Content

Carreira Group – Professor Product Portal

The Carreira Research Group is focused on expanding and creating access to uncharted landscape in chemical space. In joint efforts with SpiroChem, Carreira develops innovative spirocyclic building blocks, seeking to make them available to the community at large. Molecules constructed from these building blocks take on unique three-dimensional profiles due to the underlying spirocyclic scaffold, enriched by the presence of diverse combinations of exit vectors as sites for functionalization. Importantly, the spirocyclic building blocks possess physicochemical properties useful in the drug discovery process. Thus, drug leads can be tuned through appending these subunits to the periphery of a given scaffold. Moreover, these compact modules represent a useful collection of unprecedented inputs for fragment-based libraries. In all applications, the inherent novelty of the structure affords researchers new opportunities to run wild in their designs and avenues to chemical space – with their imagination as the sole limitations. We are proud to partner in the efforts to make these building blocks widely available.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

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