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2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, methyl ester (9CI) is a chemical compound with the molecular formula C8H13NO3. It is a methyl ester derivative of 4-aminotetrahydropyran-4-carboxylic acid and belongs to the class of pyran carboxylic acids. This versatile chemical is characterized by its unique structure and properties, making it a valuable component in various chemical and pharmaceutical applications.

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  • 184698-41-7 Structure
  • Basic information

    1. Product Name: 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI)
    2. Synonyms: 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI);4-Aminotetrahydropyran-4-carboxylic acid methyl ester;Methyl 4-aminotetrahydropyran-4-carboxylate hydrochloride , 95%;Methyl 4-aMinotetrahydro-2H-pyran-4-carboxylate;4-AMinotetrahydro-2H-pyran-4-carboxylic acid Methyl ester;Methyl 4-aMinotetrahydro-2H-pyran-4-carboxylate hydrochloride;Methyl 4-AMinotetrahydropyran-4-carboxylate;methyl 4-aminooxane-4-carboxylate
    3. CAS NO:184698-41-7
    4. Molecular Formula: C7H13NO3
    5. Molecular Weight: 159.184
    6. EINECS: N/A
    7. Product Categories: CARBOXYLICESTER;pharmacetical
    8. Mol File: 184698-41-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 223.5°Cat760mmHg
    3. Flash Point: 87.8°C
    4. Appearance: /
    5. Density: 1.128g/cm3
    6. Vapor Pressure: 0.096mmHg at 25°C
    7. Refractive Index: 1.466
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. PKA: 6.24±0.20(Predicted)
    11. CAS DataBase Reference: 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI)(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI)(184698-41-7)
    13. EPA Substance Registry System: 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI)(184698-41-7)
  • 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: 184698-41-7(Hazardous Substances Data)

184698-41-7 Usage

Uses

Used in Chemical Synthesis:
2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, methyl ester (9CI) is used as a building block for the synthesis of other organic compounds. Its chemical properties allow it to be a key intermediate in the creation of a wide range of molecules, contributing to the development of new materials and compounds in the chemical industry.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, methyl ester (9CI) serves as a research tool in the development of new drugs and chemicals. Its unique structure and reactivity make it a promising candidate for the design and synthesis of novel therapeutic agents, potentially leading to breakthroughs in medicine.
Used in Organic Chemistry Research:
2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, methyl ester (9CI) is also utilized in organic chemistry research to explore its chemical properties and potential reactions. This helps scientists better understand the behavior of similar compounds and contributes to the advancement of organic chemistry knowledge.

Check Digit Verification of cas no

The CAS Registry Mumber 184698-41-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,4,6,9 and 8 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 184698-41:
(8*1)+(7*8)+(6*4)+(5*6)+(4*9)+(3*8)+(2*4)+(1*1)=187
187 % 10 = 7
So 184698-41-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H13NO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5,8H2,1H3

184698-41-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-aminooxane-4-carboxylate

1.2 Other means of identification

Product number -
Other names 4-Aminotetrahydropyran-4-carboxylic acid methyl 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:184698-41-7 SDS

184698-41-7Relevant articles and documents

Design and Synthesis of Fsp3-Rich, Bis-Spirocyclic-Based Compound Libraries for Biological Screening

Stotani, Silvia,Lorenz, Christoph,Winkler, Matthias,Medda, Federico,Picazo, Edwige,Ortega Martinez, Raquel,Karawajczyk, Anna,Sanchez-Quesada, Jorge,Giordanetto, Fabrizio

, p. 330 - 336 (2016/07/06)

The exploration of innovative chemical space is a critical step in the early phases of drug discovery. Bis-spirocyclic frameworks occur in natural products and other biologically relevant metabolites and show attractive features, such as molecular compactness, structural complexity, and three-dimensional character. A concise approach to the synthesis of bis-spirocyclic-based compound libraries starting from readily available commercial reagents and robust chemical transformations has been developed. A number of novel bis-spirocyclic scaffold examples, as implemented in the European Lead Factory project, is presented.

CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS

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Page/Page column 16, (2009/10/31)

Methods and compounds effective in ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted N-type and/or T-type calcium channel activity are disclosed. Specifically, a series of compounds of substituted or unsubstituted cyclylamine derivatives as shown in formulas (1).

PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY

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Page/Page column 125, (2008/06/13)

The present invention relates to a pyrazole compound having potent CB1-antagonizing activity, having the following formula [I]: wherein R1 and R2 are the same or different and an optionally substituted aryl group etc., R3 is an alkyl group etc., E is one of the following groups of the formula (i) to (iv): Q1 is a single bond, an alkylene group or a group of the formula: -N(R7)-, R7 is a hydrogen atom or an alkyl group, Q2 is a single bond, an oxygen atom or an alkylene group, R4 is a cycloalkyl group, a group of the formula: -N(R5)(R6) etc., one of R5 and R6 is a hydrogen atom or an alkyl group and the other is an alkyl group, a group of the formula: -N(R8)(R9) etc., D is an oxygen atom etc., RA1 is an amino group etc., RA2 is an optionally substituted aliphatic heterocyclic group, R is an alkyl group optionally substituted by one to three halogen atom(s) etc., one of R8 and R9 is a hydrogen atom or an alkyl group and the other is an alkyl group etc., or a pharmaceutically acceptable salt thereof.

Selective urokinase-type plasminogen activator inhibitors. 4. 1-(7-Sulfonamidoisoquinolinyl)guanidines

Fish, Paul V.,Barber, Christopher G.,Brown, David G.,Butt, Richard,Collis, Michael G.,Dickinson, Roger P.,Henry, Brian T.,Horne, Valerie A.,Huggins, John P.,King, Elizabeth,O'Gara, Margaret,McCleverty, Dawn,McIntosh, Fraser,Phillips, Christopher,Webster, Robert

, p. 2341 - 2351 (2008/02/03)

1-Isoquinolinylguanidines were previously disclosed as potent and selective inhibitors of urokinase-type plasminogen activator (uPA). Further investigation of this template has revealed that incorporation of a 7-sulfonamide group furnishes a new series of potent and highly selective uPA inhibitors. Potency and selectivity can be achieved with sulfonamides derived from a variety of amines and is further enhanced by the incorporation of sulfonamides derived from amino acids. The binding mode of these 1-isoquinolinylguanidines has been investigated by X-ray cocrystallization studies. uPA inhibitor 26 was selected for further evaluation based on its excellent enzyme potency (Ki 10 nM) and selectivity profile (4000-fold versus tPA and 2700-fold versus plasmin). In vitro, compound 26 is able to inhibit exogenous uPA in human chronic wound fluid (IC50 = 0.89 μM). In vivo, in a porcine acute excisional wound model, following topical delivery, compound 26 is able to penetrate into pig wounds and inhibit exogenous uPA activity with no adverse effect on wound healing parameters. On the basis of this profile, compound 26 (UK-371,804) was selected as a candidate for further preclinical evaluation for the treatment of chronic dermal ulcers.

Composition for the treatment of damaged tissue

-

, (2008/06/13)

A pharmaceutical for use in damaged tissue, such as wound, treatment (e.g. healing) is described. The pharmaceutical comprising a composition which comprises: (a) a growth factor; and (b) an inhibitor agent; and optionally (c) a pharmaceutically acceptable carrier, diluent or excipient; wherein the inhibitor agent can inhibit the action of at least one specific adverse protein (e.g. a specific protease) that is upregulated in a damaged tissue, such as a wound, environment.

Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents

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Page column 165-166, (2010/02/05)

This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

Isoquinolines

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, (2008/06/13)

Isoquinolinylguanidine compounds of formula (I): STR1 wherein the substituents are as defined herein, and salts thereof, are disclosed as urokinase inhibitors.

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