Home Other Building Blocks 333353-44-9
333353-44-9,MFCD00469538
Catalog No.:AA0035WY

333353-44-9 | NBD-556

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1mg
≥98%
in stock  
$46.00   $32.00
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5mg
≥98%
in stock  
$143.00   $100.00
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10mg
≥98%
in stock  
$219.00   $153.00
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25mg
≥98%
in stock  
$436.00   $305.00
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50mg
98% by HPLC
in stock  
$761.00   $533.00
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100mg
98% by HPLC
in stock  
$1,270.00   $889.00
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500mg
98% by HPLC
in stock  
$3,958.00   $2,771.00
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1000mg
98% by HPLC
in stock  
$6,295.00   $4,407.00
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  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0035WY
Chemical Name:
NBD-556
CAS Number:
333353-44-9
Molecular Formula:
C17H24ClN3O2
Molecular Weight:
337.8444
MDL Number:
MFCD00469538
SMILES:
O=C(C(=O)NC1CC(C)(C)NC(C1)(C)C)Nc1ccc(cc1)Cl
Properties
Properties
 
Form:
Solid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
441  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
2.8  

Literature

Title: Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity.

Journal: Journal of medicinal chemistry 20150910

Title: CD4 mimics as HIV entry inhibitors: lead optimization studies of the aromatic substituents.

Journal: Bioorganic & medicinal chemistry 20130501

Title: Design, synthesis, and antiviral activity of entry inhibitors that target the CD4-binding site of HIV-1.

Journal: Journal of medicinal chemistry 20120524

Title: Small molecular CD4 mimics as HIV entry inhibitors.

Journal: Bioorganic & medicinal chemistry 20111115

Title: Enhanced dynamics of HIV gp120 glycoprotein by small molecule binding.

Journal: Biochemistry 20110517

Title: Some binding-related drug properties are dependent on thermodynamic signature.

Journal: Chemical biology & drug design 20110301

Title: Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening.

Journal: Bioorganic & medicinal chemistry 20110101

Title: CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist.

Journal: Bioorganic & medicinal chemistry letters 20101001

Title: Thermodynamics of binding of a low-molecular-weight CD4 mimetic to HIV-1 gp120.

Journal: Biochemistry 20060912

Title: Zhao Q, Ma L, Jiang S, Lu H, Liu S, He Y, Strick N, Neamati N, Debnath AK.Identification of N-phenyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamides as a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4.Virology. 2005 Sep 1;339(2):213-25.

Title: Schon A, et al. Thermodynamics of binding of a low-molecular-weight CD4 mimetic to HIV-1 gp120. Biochemistry. 2006 Sep 12;45(36):10973-10980.

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Tags:333353-44-9 Molecular Formula|333353-44-9 MDL|333353-44-9 SMILES|333353-44-9 NBD-556