Home Bromides 313669-88-4
313669-88-4,MFCD00825276
Catalog No.:AA01EQ6K

313669-88-4 | 2-(3-bromo-4-methoxyphenyl)-3-[(4-chlorophenyl)sulfonyl]-thiazolidine

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1mg
≥98%
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$70.00   $49.00
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5mg
≥98%
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$325.00   $227.00
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  • Technical Information
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Technical Information
Catalog Number:
AA01EQ6K
Chemical Name:
2-(3-bromo-4-methoxyphenyl)-3-[(4-chlorophenyl)sulfonyl]-thiazolidine
CAS Number:
313669-88-4
Molecular Formula:
C16H15BrClNO3S2
Molecular Weight:
448.7822
MDL Number:
MFCD00825276
SMILES:
COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl
Properties
Computed Properties
 
Complexity:
522  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.4  

Literature

Title: Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor.

Journal: Journal of chemical information and modeling 20150928

Title: Discovery of positive allosteric modulators and silent allosteric modulators of the μ-opioid receptor.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20130625

Title: Burford NT, et al. Discovery of positive allosteric modulators and silent allosteric modulators of the μ-opioid receptor. Proc Natl Acad Sci U S A. 2013;110(26):10830-10835.

Title: Kandasamy R, et al. Positive allosteric modulation of the mu-opioid receptor produces analgesia with reduced side effects. Proc Natl Acad Sci U S A. 2021;118(16):e2000017118.

Title: Livingston KE, Alt A, Canals M, Traynor JR. Pharmacologic Evidence for a Putative Conserved Allosteric Site on Opioid Receptors. Mol Pharmacol. 2018;93(2):157-167.

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SDS
Tags:313669-88-4 Molecular Formula|313669-88-4 MDL|313669-88-4 SMILES|313669-88-4 2-(3-bromo-4-methoxyphenyl)-3-[(4-chlorophenyl)sulfonyl]-thiazolidine