D77

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

MedKoo CAT#: 561097

CAS#: 497836-10-9

Description: D77 functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75.


Price and Availability

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D77 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 561097
Name: D77
CAS#: 497836-10-9
Chemical Formula: C28H22BrNO7S
Exact Mass: 595.03
Molecular Weight: 596.45
Elemental Analysis: C, 56.39; H, 3.72; Br, 13.40; N, 2.35; O, 18.78; S, 5.38


Synonym: D77; D 77; D-77

IUPAC/Chemical Name: 4-[[5-Bromo-4-[(Z)-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoic acid

InChi Key: UZYMVECXXFVCGS-MXAYSNPKSA-N

InChi Code: InChI=1S/C28H22BrNO7S/c1-2-36-23-12-20(21(29)14-24(23)37-16-17-8-10-19(11-9-17)27(33)34)13-25-26(32)30(28(35)38-25)15-22(31)18-6-4-3-5-7-18/h3-14H,2,15-16H2,1H3,(H,33,34)/b25-13-

SMILES Code: O=C(O)C1=CC=C(COC2=CC(Br)=C(/C=C(SC(N3CC(C4=CC=CC=C4)=O)=O)/C3=O)C=C2OCC)C=C1


Technical Data

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).

Harmonized System Code:
293490


References

1: Li P, Tan JJ, Liu M, Zhang XY, Chen WZ, Wang CX. Insight into the inhibitory mechanism and binding mode between D77 and HIV-1 integrase by molecular modeling methods. J Biomol Struct Dyn. 2011 Oct;29(2):311-23. PubMed PMID: 21875151.

2: Huang HJ, Jian YR, Chen CY. Traditional Chinese medicine application in HIV: an in silico study. J Biomol Struct Dyn. 2014;32(1):1-12. doi: 10.1080/07391102.2012.745168. Epub 2012 Dec 20. PubMed PMID: 23252879.

3: Du L, Zhao Y, Chen J, Yang L, Zheng Y, Tang Y, Shen X, Jiang H. D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75. Biochem Biophys Res Commun. 2008 Oct 10;375(1):139-44. doi: 10.1016/j.bbrc.2008.07.139. Epub 2008 Aug 6. PubMed PMID: 18691555.

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5: Diesterbeck US, Aboelhassan DM, Stein SK, Czerny CP. Detection of new allotypic variants of bovine λ-light chain constant regions in different cattle breeds. Dev Comp Immunol. 2012 Jan;36(1):130-9. doi: 10.1016/j.dci.2011.06.011. Epub 2011 Jul 1. PubMed PMID: 21741991.

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10: Yasui S. A recommended epidemiological study design for examining the adverse health effects among emergency workers who experienced the TEPCO fukushima daiichi NPP accident in 2011. J Occup Environ Hyg. 2016;13(5):D77-88. doi: 10.1080/15459624.2015.1125484. PubMed PMID: 26653093.

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12: Visser-Meily JM, Kappelle LJ, Post MW. [Improving the quality of stroke care in the Netherlands; registration of quality indicators is a joint responsibility]. Ned Tijdschr Geneeskd. 2016;160:D77. Dutch. PubMed PMID: 27165463.

13: Yan XX, Xu XF, Ma YX. [Changes in T lymphocytes and their subpopulations and IgG in peripheral blood from mice infected with Trichinella spiralis]. Zhongguo Ji Sheng Chong Xue Yu Ji Sheng Chong Bing Za Zhi. 1992;10(1):62-5. Chinese. PubMed PMID: 1394900.

14: Understanding public decision-making on community water fluoridation. J Can Dent Assoc. 2013;79:d77. PubMed PMID: 23763747.

15: Wolfgang R, Burgess-Limerick R. Using consumer electronic devices to estimate whole-body vibration exposure. J Occup Environ Hyg. 2014;11(6):D77-81. doi: 10.1080/15459624.2014.888073. PubMed PMID: 24498944.

16: Zimmerman MD, Proudfoot M, Yakunin A, Minor W. Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli. J Mol Biol. 2008 Apr 18;378(1):215-26. doi: 10.1016/j.jmb.2008.02.036. Epub 2008 Mar 4. PubMed PMID: 18353368; PubMed Central PMCID: PMC2504004.

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19: Ren XW, Wang MD, Kang HZ, Lu XX. A new method for reducing the prevalence of pneumoconiosis among coal miners: foam technology for dust control. J Occup Environ Hyg. 2012;9(4):D77-83. doi: 10.1080/15459624.2012.667288. PubMed PMID: 22482836.

20: Murata H, Teferedegne B, Sheng L, Lewis AM Jr, Peden K. Identification of a neutralization epitope in the VP1 capsid protein of SV40. Virology. 2008 Nov 10;381(1):116-22. doi: 10.1016/j.virol.2008.07.032. Epub 2008 Sep 11. PubMed PMID: 18789470.