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139067-52-0

(2E)-4-[(1R)-2-(alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophylamino)-1-phenylethyl]amino-4-oxobut-2-enoic acid is a complex organic molecule with a unique combination of functional groups and stereochemistry. It contains an amino acid, a carboxylic acid, a ketone, and an enoic acid functional group. The molecule also features a tricyclic ring structure, an alpha-methyl group, and a phenyl group. These structural features may make it useful for specific biological or chemical applications, although further study and investigation are required to determine its specific properties and uses.

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  • 139067-52-0 Structure

  • Basic information

    1. Product Name: (2E)-4-{[(1R)-2-({alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophyl}amino)-1-phenylethyl]amino}-4-oxobut-2-enoic acid
    2. Synonyms:
    3. CAS NO:139067-52-0
    4. Molecular Formula: C35H40N4O6
    5. Molecular Weight: 612.7153
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 139067-52-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 950.4°C at 760 mmHg
    3. Flash Point: 528.6°C
    4. Appearance: N/A
    5. Density: 1.33g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.658
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (2E)-4-{[(1R)-2-({alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophyl}amino)-1-phenylethyl]amino}-4-oxobut-2-enoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2E)-4-{[(1R)-2-({alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophyl}amino)-1-phenylethyl]amino}-4-oxobut-2-enoic acid(139067-52-0)
    12. EPA Substance Registry System: (2E)-4-{[(1R)-2-({alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophyl}amino)-1-phenylethyl]amino}-4-oxobut-2-enoic acid(139067-52-0)

  • 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: 139067-52-0(Hazardous Substances Data)

139067-52-0 Usage

Uses

Used in Pharmaceutical Industry:
(2E)-4-[(1R)-2-(alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophylamino)-1-phenylethyl]amino-4-oxobut-2-enoic acid is used as a potential pharmaceutical candidate for [application reason] due to its unique combination of functional groups and stereochemistry.
Used in Chemical Research:
(2E)-4-[(1R)-2-(alpha-methyl-N-[(tricyclo[3.3.1.1~3,7~]dec-2-yloxy)carbonyl]-D-tryptophylamino)-1-phenylethyl]amino-4-oxobut-2-enoic acid is used as a subject of chemical research for [application reason], given its complex structure and the possibility of exploring its properties and potential applications.

Check Digit Verification of cas no

The CAS Registry Mumber 139067-52-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,9,0,6 and 7 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 139067-52:
(8*1)+(7*3)+(6*9)+(5*0)+(4*6)+(3*7)+(2*5)+(1*2)=140
140 % 10 = 0
So 139067-52-0 is a valid CAS Registry Number.

139067-52-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[[2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid

1.2 Other means of identification

Product number -
Other names 4-((2-((3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1(3,7))dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxo-2-butenoic acid

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:139067-52-0 SDS

139067-52-0Downstream Products

139067-52-0Relevant articles and documents

Rationally designed 'dipeptoid' analogues of cholecystokinin (CCK): C-terminal structure-activity relationships of α-methyl tryptophan derivatives

Boden, P. R.,Eden, J. M.,Higginbottom, M.,Hill, D. R.,Horwell, D. C.,et al.

, p. 47 - 61 (2007/10/02)

This paper outlines the synthesis and C-terminal structure-activity relationships (SAR) of a series of α-methyl tryptophanylphenethylamide analogues of the neuropeptide cholecystokinin (CCK).CCK-B and CCK-A receptor binding affinities of these analogues are described and the contributions of the various side chains on the phenethylamide moiety to binding affinity are discussed.Several of the compounds prepared have CCK-B receptor binding affinities similar to that found with the endogenous neuropeptide CCK-26-33 (sulphated) (CCK-B, IC50 = 0.3 nM) and are highly selective over the CCK-A receptor.Amongst the most potent of the compounds synthesized are *,S*)>-β-3,7>dec-2-yloxy)carbonyl>amino>propyl>amino>benzenebutanoic acid 22, *,S*)>-3,7>dec-2-yloxy)carbonyl>amino>propyl>amino>-3-phenylpropyl>thio>acetic acid 28a and *,S*)>-3,7>dec-2-yloxy)carbonyl>amino>propyl>amino>-3-phenylpropyl>sulfonyl>acetic acid 32 which have CCK-B receptor binding affinities of IC50 = 0.3, 0.3 and 0.2 nM with CCK-A/B ratios of 220, 700 and 1000, respectively.CCK-B receptor selective ligands, 22, 28a and 32 were also shown to be potent anatagonists in blocking pentagastrin-evoked excitation in neurons of the rat hypothalamic ventro-medial nucleus (VMN) with the Ke values of 2.8, 23 and 5.9 nM, respectively. Keywords: cholecystokinin / dipeptoid analogues / structure-affinity relationships / α-methyl-tryptophan derivatives / C-terminal

Rationally Designed "Dipeptoid" Analogues of CCK. α-Methyltryptophan Derivatives as Highly Selective and Orally Active Gastrin and CCK-B Antagonists with Potent Anxiolytic Properties

Horwell, David C.,Hughes, John,Hunter, John C.,Pritchard, Martyn C.,Richardson, Reginald S.,at al.

, p. 404 - 414 (2007/10/02)

This paper describes the synthesis and structure-activity relationships (SAR) leading to the first rational design of "dipeptoid" analogues of the neuropeptide cholecystokinin (CCK).Compounds *,S*)>-4-2-3-(1H-indol-3-yl)-2-m

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