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MedKoo Cat#: 561702 | Name: CGP64222

Description:

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

CGP64222 is a peptoid Tat/transactivation response element inhibitor. It inhibits human immunodeficiency virus replication by blocking CXC-chemokine receptor 4-mediated virus entry.

Chemical Structure

CGP64222
CGP64222
CAS#186380-62-1

Theoretical Analysis

MedKoo Cat#: 561702

Name: CGP64222

CAS#: 186380-62-1

Chemical Formula: C58H107N25O9

Exact Mass: 1297.8684

Molecular Weight: 1298.66

Elemental Analysis: C, 53.64; H, 8.31; N, 26.96; O, 11.09

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
CGP64222; CGP-64222; CGP 64222;
IUPAC/Chemical Name
(2S)-1-(2-((R)-6-amino-2-((S)-6-amino-2-(1,1-diamino-6-((6-aminohexyl)glycyl)-12-benzyl-9,15-bis(3-((diaminomethylene)amino)propyl)-8,11,14-trioxo-2,6,9,12,15-pentaazaheptadec-1-en-17-amido)hexanamido)hexanamido)-5-((diaminomethylene)amino)pentanoyl)pyrrolidine-2-carboxamide
InChi Key
PHIRWRJXMDCHJF-NKRIFVGSSA-N
InChi Code
InChI=1S/C58H107N25O9/c59-23-8-1-2-11-26-71-35-47(85)80(32-15-29-74-57(67)68)38-48(86)81(33-16-30-75-58(69)70)39-50(88)82(36-41-17-4-3-5-18-41)40-49(87)79(31-14-28-73-56(65)66)37-46(84)76-42(19-6-9-24-60)52(90)77-43(20-7-10-25-61)53(91)78-44(21-12-27-72-55(63)64)54(92)83-34-13-22-45(83)51(62)89/h3-5,17-18,42-45,71H,1-2,6-16,19-40,59-61H2,(H2,62,89)(H,76,84)(H,77,90)(H,78,91)(H4,63,64,72)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)/t42-,43+,44?,45-/m0/s1
SMILES Code
O=C([C@H]1N(C(C(NC([C@H](NC([C@@H](NC(CN(C(CN(C(CN(C(CN(C(CNCCCCCCN)=O)CCC/N=C(N)\N)=O)CCC/N=C(N)\N)=O)CC2=CC=CC=C2)=O)CCC/N=C(N)\N)=O)CCCCN)=O)CCCCN)=O)CCC/N=C(N)\N)=O)CCC1)N
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,298.66 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
1: Fu J, Xia A, Dai Y, Qi X. Design-Based Peptidomimetic Ligand Discovery to Target HIV TAR RNA Using Comparative Analysis of Different Docking Methods. Curr HIV Res. 2016;14(6):476-483. PubMed PMID: 27450546. 2: Bai RJ, Liu XY. [Transactivation of HIV-1 transcription and inhibitors]. Yao Xue Xue Bao. 2006 Apr;41(4):289-95. Review. Chinese. PubMed PMID: 16856471. 3: 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. 4: Schols D. HIV co-receptors as targets for antiviral therapy. Curr Top Med Chem. 2004;4(9):883-93. Review. PubMed PMID: 15134547. 5: De Clercq E. New developments in anti-HIV chemotherapy. Biochim Biophys Acta. 2002 Jul 18;1587(2-3):258-75. Review. PubMed PMID: 12084468. 6: De Clercq E, Schols D. Inhibition of HIV infection by CXCR4 and CCR5 chemokine receptor antagonists. Antivir Chem Chemother. 2001;12 Suppl 1:19-31. PubMed PMID: 11594685. 7: De Clercq E. New developments in anti-HIV chemotherapy. Curr Med Chem. 2001 Nov;8(13):1543-72. Review. PubMed PMID: 11562282. 8: De Clercq E. Novel compounds in preclinical/early clinical development for the treatment of HIV infections. Rev Med Virol. 2000 Jul-Aug;10(4):255-77. Review. Erratum in: Rev Med Virol 2000 Sep-Oct;10(5):349. PubMed PMID: 10891872. 9: De Clercq E. The emerging role of fusion inhibitors in HIV infection. Drugs R D. 1999 Nov;2(5):321-31. Review. PubMed PMID: 10728472. 10: Daelemans D, Schols D, Witvrouw M, Pannecouque C, Hatse S, van Dooren S, Hamy F, Klimkait T, de Clercq E, VanDamme AM. A second target for the peptoid Tat/transactivation response element inhibitor CGP64222: inhibition of human immunodeficiency virus replication by blocking CXC-chemokine receptor 4-mediated virus entry. Mol Pharmacol. 2000 Jan;57(1):116-24. PubMed PMID: 10617686. 11: Klimkait T, Felder ER, Albrecht G, Hamy F. Rational optimization of a HIV-1 Tat inhibitor: rapid progress on combinatorial lead structures. Biotechnol Bioeng. 1998-1999;61(3):155-68. PubMed PMID: 10397803. 12: Daelemans D, Vandamme AM, De Clercq E. Human immunodeficiency virus gene regulation as a target for antiviral chemotherapy. Antivir Chem Chemother. 1999 Jan;10(1):1-14. Review. PubMed PMID: 10079874. 13: Hamy F, Felder ER, Heizmann G, Lazdins J, Aboul-ela F, Varani G, Karn J, Klimkait T. An inhibitor of the Tat/TAR RNA interaction that effectively suppresses HIV-1 replication. Proc Natl Acad Sci U S A. 1997 Apr 15;94(8):3548-53. PubMed PMID: 9108013; PubMed Central PMCID: PMC20476.