TAK-220
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 526410

CAS#: 333994-00-6

Description: TAK-220 is a novel 1,4-disubstituted piperidine/piperazine.

Chemical Structure

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TAK-220
CAS# 333994-00-6
Instruction

Theoretical Analysis

MedKoo Cat#: 526410
Name: TAK-220
CAS#: 333994-00-6
Chemical Formula: C31H41ClN4O3
Exact Mass: 552.29
Molecular Weight: 553.144
Elemental Analysis: C, 67.31; H, 7.47; Cl, 6.41; N, 10.13; O, 8.68

Price and Availability

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8mg USD 1050
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Synonym: TAK-220, TAK 220, TAK220

IUPAC/Chemical Name: 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

InChi Key: ASSJTMUEFHUKMJ-UHFFFAOYSA-N

InChi Code: InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)

SMILES Code: O=C(C1CCN(C(C)=O)CC1)N(CCCN2CCC(CC3=CC=C(C(N)=O)C=C3)CC2)C4=CC=C(C)C(Cl)=C4

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:
Product Data
Instruction:
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Preparing Stock Solutions

The following data is based on the product molecular weight 553.144000000000000000000000000000 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Dong MX, Lu L, Li H, Wang X, Lu H, Jiang S, Dai QY. Design, synthesis, and biological activity of novel 1,4-disubstituted piperidine/piperazine derivatives as CCR5 antagonist-based HIV-1 entry inhibitors. Bioorg Med Chem Lett. 2012 May 1;22(9):3284-6. doi: 10.1016/j.bmcl.2012.03.019. PubMed PMID: 22464131. 2: Kondru R, Zhang J, Ji C, Mirzadegan T, Rotstein D, Sankuratri S, Dioszegi M. Molecular interactions of CCR5 with major classes of small-molecule anti-HIV CCR5 antagonists. Mol Pharmacol. 2008 Mar;73(3):789-800. PubMed PMID: 18096812. 3: Rusconi S, Scozzafava A, Mastrolorenzo A, Supuran CT. An update in the development of HIV entry inhibitors. Curr Top Med Chem. 2007;7(13):1273-89. Review. PubMed PMID: 17627557. 4: Baba M, Miyake H, Wang X, Okamoto M, Takashima K. Isolation and characterization of human immunodeficiency virus type 1 resistant to the small-molecule CCR5 antagonist TAK-652. Antimicrob Agents Chemother. 2007 Feb;51(2):707-15. PubMed PMID: 17116673; PubMed Central PMCID: PMC1797735. 5: Baba M. Recent advances of CCR5 antagonists. Curr Opin HIV AIDS. 2006 Sep;1(5):367-72. doi: 10.1097/01.COH.0000239848.13205.2a. PubMed PMID: 19372835. 6: Imamura S, Ichikawa T, Nishikawa Y, Kanzaki N, Takashima K, Niwa S, Iizawa Y, Baba M, Sugihara Y. Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent Anti-HIV-1 activity. J Med Chem. 2006 May 4;49(9):2784-93. PubMed PMID: 16640339. 7: Nishikawa M, Takashima K, Nishi T, Furuta RA, Kanzaki N, Yamamoto Y, Fujisawa J. Analysis of binding sites for the new small-molecule CCR5 antagonist TAK-220 on human CCR5. Antimicrob Agents Chemother. 2005 Nov;49(11):4708-15. PubMed PMID: 16251315; PubMed Central PMCID: PMC1280122. 8: Tremblay CL, Giguel F, Guan Y, Chou TC, Takashima K, Hirsch MS. 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. PubMed PMID: 16048964; PubMed Central PMCID: PMC1196290. 9: Takashima K, Miyake H, Kanzaki N, Tagawa Y, Wang X, Sugihara Y, Iizawa Y, Baba M. 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. PubMed PMID: 16048963; PubMed Central PMCID: PMC1196284. 10: De Clercq E. Emerging anti-HIV drugs. Expert Opin Emerg Drugs. 2005 May;10(2):241-73. Review. PubMed PMID: 15934866. 11: Barbaro G, Scozzafava A, Mastrolorenzo A, Supuran CT. Highly active antiretroviral therapy: current state of the art, new agents and their pharmacological interactions useful for improving therapeutic outcome. Curr Pharm Des. 2005;11(14):1805-43. Review. PubMed PMID: 15892677. 12: Castagna A, Biswas P, Beretta A, Lazzarin A. The appealing story of HIV entry inhibitors : from discovery of biological mechanisms to drug development. Drugs. 2005;65(7):879-904. PubMed PMID: 15892586. 13: Rusconi S, Scozzafava A, Mastrolorenzo A, Supuran CT. New advances in HIV entry inhibitors development. Curr Drug Targets Infect Disord. 2004 Dec;4(4):339-55. Review. PubMed PMID: 15578975.