142959-59-9,MFCD01076464
Catalog No.:AA006X1R

142959-59-9 | N-(2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl)acetamide

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contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006X1R
Chemical Name:
N-(2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl)acetamide
CAS Number:
142959-59-9
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
MDL Number:
MFCD01076464
SMILES:
COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Br
NSC Number:
674637
Properties
Computed Properties
 
Complexity:
301  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route
73-31-4    142959-59-9    214416-47-4   
4-bromomelatonin 

[1]Heterocycles,2000,vol.53,p.1725-1736

[1]Pharmazie,2003,vol.58,p.607-613

[2]Patent:US2007/191463,2007,A1.Locationinpatent:Page/Pagecolumn12

[3]Heterocycles,2000,vol.53,p.1725-1736

[1]Patent:US5552428,1996,A

Literature

Title: Novel bromomelatonin derivatives suppress osteoclastic activity and increase osteoblastic activity: implications for the treatment of bone diseases.

Journal: Journal of pineal research 20080401

Title: Melatonin and anesthesia: a clinical perspective.

Journal: Journal of pineal research 20070101

Title: The hypnotic and analgesic effects of 2-bromomelatonin.

Journal: Anesthesia and analgesia 20030901

Title: Three-dimensional quantitative structure-activity relationship studies on selected MT1 and MT2 melatonin receptor ligands: requirements for subtype selectivity and intrinsic activity modulation.

Journal: Journal of medicinal chemistry 20030410

Quotation Request
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SDS
Tags:142959-59-9 Molecular Formula|142959-59-9 MDL|142959-59-9 SMILES|142959-59-9 N-(2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl)acetamide
Catalog No.: AA006X1R
142959-59-9,MFCD01076464
142959-59-9 | N-(2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl)acetamide
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA006X1R
Chemical Name: N-(2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl)acetamide
CAS Number: 142959-59-9
Molecular Formula: C13H15BrN2O2
Molecular Weight: 311.1744
MDL Number: MFCD01076464
SMILES: COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Br
NSC Number: 674637
Properties
Complexity: 301  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
73-31-4    142959-59-9    214416-47-4   
4-bromomelatonin 

[1]Heterocycles,2000,vol.53,p.1725-1736

73-31-4    142959-59-9 

[1]Pharmazie,2003,vol.58,p.607-613

[2]Patent:US2007/191463,2007,A1.Locationinpatent:Page/Pagecolumn12

[3]Heterocycles,2000,vol.53,p.1725-1736

128-08-5    73-31-4    142959-59-9 

[1]Patent:US5552428,1996,A

Literature fold

Title: Novel bromomelatonin derivatives suppress osteoclastic activity and increase osteoblastic activity: implications for the treatment of bone diseases.

Journal: Journal of pineal research20080401

Title: Melatonin and anesthesia: a clinical perspective.

Journal: Journal of pineal research20070101

Title: The hypnotic and analgesic effects of 2-bromomelatonin.

Journal: Anesthesia and analgesia20030901

Title: Three-dimensional quantitative structure-activity relationship studies on selected MT1 and MT2 melatonin receptor ligands: requirements for subtype selectivity and intrinsic activity modulation.

Journal: Journal of medicinal chemistry20030410

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