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[1,4]Diazepane-5-carboxylic acid tert-butyl ester is a chemical compound that belongs to the class of diazepanes, which are a group of organic compounds containing a seven-membered heterocyclic ring with two nitrogen atoms. The tert-butyl ester functional group indicates that a tert-butyl group, a type of alkyl group, is attached to the carboxylic acid moiety of the diazepane ring. [1,4]Diazepane-5-carboxylic acid tert-butyl ester has potential applications in medicinal chemistry and drug discovery, as it may possess pharmacological properties that could be useful for the development of new therapeutic agents. The specific biological and chemical properties of [1,4]Diazepane-5-carboxylic acid tert-butyl ester would need to be further investigated through experimentation and analysis.

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  • 138883-20-2 Structure
  • Basic information

    1. Product Name: [1,4]Diazepane-5-carboxylic acid tert-butyl ester
    2. Synonyms: [1,4]Diazepane-5-carboxylic acid tert-butyl ester;tert-Butyl 1,4-diazepane-5-carboxylate
    3. CAS NO:138883-20-2
    4. Molecular Formula: C10H20N2O2
    5. Molecular Weight: 200.28
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 138883-20-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 279.3°Cat760mmHg
    3. Flash Point: 122.7°C
    4. Appearance: /
    5. Density: 0.984g/cm3
    6. Vapor Pressure: 0.004mmHg at 25°C
    7. Refractive Index: 1.449
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: [1,4]Diazepane-5-carboxylic acid tert-butyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: [1,4]Diazepane-5-carboxylic acid tert-butyl ester(138883-20-2)
    12. EPA Substance Registry System: [1,4]Diazepane-5-carboxylic acid tert-butyl ester(138883-20-2)
  • 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: 138883-20-2(Hazardous Substances Data)

138883-20-2 Usage

Uses

Used in Medicinal Chemistry:
[1,4]Diazepane-5-carboxylic acid tert-butyl ester is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure and functional groups make it a promising candidate for the development of new drugs with potential therapeutic applications.
Used in Drug Discovery:
[1,4]Diazepane-5-carboxylic acid tert-butyl ester is used as a starting material in the design and development of novel therapeutic agents. Its structural features may allow for the creation of new drugs with improved pharmacological properties, such as increased potency, selectivity, and reduced side effects.
Used in Pharmaceutical Research:
[1,4]Diazepane-5-carboxylic acid tert-butyl ester is used as a research tool in the study of various biological processes and disease mechanisms. Its interaction with different target proteins and enzymes can provide valuable insights into the development of new treatment strategies for various medical conditions.
Used in Drug Synthesis:
[1,4]Diazepane-5-carboxylic acid tert-butyl ester is used as a key building block in the synthesis of complex drug molecules. Its versatile chemical properties allow for the formation of a wide range of derivatives, which can be further optimized for improved pharmacological activity and safety profiles.
Used in Drug Design:
[1,4]Diazepane-5-carboxylic acid tert-butyl ester is used as a structural template in the design of new drugs with specific therapeutic targets. Its unique molecular architecture can be exploited to create highly selective and potent drug candidates for the treatment of various diseases and disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 138883-20-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,8,8 and 3 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 138883-20:
(8*1)+(7*3)+(6*8)+(5*8)+(4*8)+(3*3)+(2*2)+(1*0)=162
162 % 10 = 2
So 138883-20-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)8-4-5-11-6-7-12-8/h8,11-12H,4-7H2,1-3H3

138883-20-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 1,4-diazepane-5-carboxylate

1.2 Other means of identification

Product number -
Other names 1,4-diazepane-5-carboxylic acid tert-butyl ester

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:138883-20-2 SDS

138883-20-2Relevant articles and documents

CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS

-

Page/Page column 40, (2015/12/09)

The invention provides novel compounds having the general formula (I) wherein R1, R2, A1 and A2 are as described herein, compositions including the compounds. These compounds of formula (I) are useful for therap

Synthesis and SAR of diazepine and thiazepine TACE and MMP inhibitors

Zask, Arie,Kaplan, Joshua,Du, XueMei,MacEwan, Gloria,Sandanayaka, Vincent,Eudy, Nancy,Levin, Jeremy,Jin, Guixian,Xu, Jun,Cummons, Terri,Barone, Dauphine,Ayral-Kaloustian, Semiramis,Skotnicki, Jerauld

, p. 1641 - 1645 (2007/10/03)

Potent and selective TACE and MMP inhibitors utilizing the diazepine and thiazepine ring systems were synthesized and evaluated for biological activity in in vitro and in vivo models of TNF-α release. Oral activity in the mouse LPS model of TNF-α release

Synthesis of Homopiperazine + Analogues of 2-Carboxy-4-(3-phosphonopropyl)piperazine

Barraclough, Paul,Farrant, R. Duncan,Kettle, Dianne,Smith, Steven

, p. 2876 - 2884 (2007/10/02)

A short versatile route to homologues of 2-carboxy-4-(3-phosphonopropyl)piperazine (CPP) is described.

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