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Tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate is a complex chemical compound characterized by a unique spiro ring system and the presence of three nitrogen atoms. It features a tert-butyl and carboxylate group attached to the 7th position, making it an intriguing molecule for chemical synthesis and potential biological activity exploration. This spiro compound is recognized for its significance in medicinal chemistry, where it serves as a valuable scaffold for drug discovery.

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  • 1391738-60-5 Structure
  • Basic information

    1. Product Name: tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
    2. Synonyms: tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
    3. CAS NO:1391738-60-5
    4. Molecular Formula: C11H17N3O4
    5. Molecular Weight: 255.27038
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1391738-60-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate(1391738-60-5)
    11. EPA Substance Registry System: tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate(1391738-60-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1391738-60-5(Hazardous Substances Data)

1391738-60-5 Usage

Uses

Used in Medicinal Chemistry:
Tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate is utilized as a structural scaffold in medicinal chemistry for drug discovery. Its distinctive spirocycle framework offers a versatile platform for the development of novel therapeutic agents.
Used as a Reference Standard:
tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate serves as a reference standard in analytical chemistry, providing a benchmark for the assessment of purity, structure, and other properties of related compounds in research and quality control processes.
Used as an Intermediate in Organic Synthesis:
Tert-butyl 2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate is employed as an intermediate in various organic synthesis processes, facilitating the creation of more complex molecules and contributing to the advancement of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 1391738-60-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,1,7,3 and 8 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1391738-60:
(9*1)+(8*3)+(7*9)+(6*1)+(5*7)+(4*3)+(3*8)+(2*6)+(1*0)=185
185 % 10 = 5
So 1391738-60-5 is a valid CAS Registry Number.

1391738-60-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-Methylthiazol-5-Yl)Methanol

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1391738-60-5 SDS

1391738-60-5Downstream Products

1391738-60-5Relevant articles and documents

Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design

Yan, Nicholas L.,Santos-Martins, Diogo,Nair, Reji,Chu, Alan,Wilson, Ian A.,Johnson, Kristen A.,Forli, Stefano,Morgan, Gareth J.,Petrassi, H. Michael,Kelly, Jeffery W.

, p. 6273 - 6299 (2021)

In immunoglobulin light-chain (LC) amyloidosis, transient unfolding or unfolding and proteolysis enable aggregation of LC proteins, causing potentially fatal organ damage. A drug that kinetically stabilizes LCs could suppress aggregation; however, LC sequences are variable and have no natural ligands, hindering drug development efforts. We previously identified high-throughput screening hits that bind to a site at the interface between the two variable domains of the LC homodimer. We hypothesized that extending the stabilizers beyond this initially characterized binding site would improve affinity. Here, using protease sensitivity assays, we identified stabilizers that can be divided into four substructures. Some stabilizers exhibit nanomolar EC50 values, a 3000-fold enhancement over the screening hits. Crystal structures reveal a key π-πstacking interaction with a conserved tyrosine residue that was not utilized by the screening hits. These data provide a foundation for developing LC stabilizers with improved binding selectivity and enhanced physicochemical properties.

CD16A BINDING AGENTS AND USES THEREOF

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Paragraph 00598, (2019/07/20)

Among other things, the present disclosure provides compounds, compositions thereof, and methods of using the same. In some embodiments, compounds of the present disclosure bind to Fc receptors, e.g., CD16a. In some embodiments, compounds of the present disclosure are useful for treating various conditions, disorders or diseases including cancer.

An efficient synthesis of 1,3,7-triazaspiro[4.4]nonane-2,4-dione derivatives and antimicrobial activity thereof

Krolenko, Konstantin Yu.,Silin, Olexiy V.,Vlasov, Sergiy V.,Zhuravel, Irina O.,Kovalenko, Sergiy M.

, p. 472 - 477 (2015/10/19)

Efficient methods for the synthesis of 1,3,7-triazaspiro[4.4]nonane-2,4-dione derivatives possessing an unsaturated pyrrolidine cycle have been developed affording intermediates and target compounds in high yields not requiring additional purification. Antimicrobial activity of the synthesized compounds was studied.

8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS

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Page/Page column 169, (2013/09/12)

Compounds of the formula I in which R1, R2 and R4 have the meanings indicated in Claim 1, are inhibitors of Syk, and can be employed, inter alia, for the treatment of cancer, rheumatoid arthritis and / or systemic lupus

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