Home Other Building Blocks 333994-00-6
333994-00-6,MFCD28502079
Catalog No.:AA00C6IV

333994-00-6 | Tak-220

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1mg
≥98%
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$219.00   $153.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C6IV
Chemical Name:
Tak-220
CAS Number:
333994-00-6
Molecular Formula:
C31H41ClN4O3
Molecular Weight:
553.1352
MDL Number:
MFCD28502079
SMILES:
CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N
Properties
Computed Properties
 
Complexity:
817  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
9  
XLogP3:
4.2  

Literature

Title: Design, synthesis, and biological activity of novel 1,4-disubstituted piperidine/piperazine derivatives as CCR5 antagonist-based HIV-1 entry inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20120501

Title: Molecular interactions of CCR5 with major classes of small-molecule anti-HIV CCR5 antagonists.

Journal: Molecular pharmacology 20080301

Title: Isolation and characterization of human immunodeficiency virus type 1 resistant to the small-molecule CCR5 antagonist TAK-652.

Journal: Antimicrobial agents and chemotherapy 20070201

Title: Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent Anti-HIV-1 activity.

Journal: Journal of medicinal chemistry 20060504

Title: Highly potent inhibition of human immunodeficiency virus type 1 replication by TAK-220, an orally bioavailable small-molecule CCR5 antagonist.

Journal: Antimicrobial agents and chemotherapy 20050801

Title: Takashima K, et al. Highly potent inhibition of human immunodeficiency virus type 1 replication by TAK-220, an orally bioavailable small-molecule CCR5 antagonist. Antimicrob Agents Chemother. 2005 Aug;49(8):3474-82.

Title: Tremblay CL, et al. TAK-220, a novel small-molecule CCR5 antagonist, has favorable anti-human immunodeficiency virus interactions with other antiretrovirals in vitro. Antimicrob Agents Chemother. 2005 Aug;49(8):3483-5.

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