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.


Chemical Structure

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D77
CAS# 497836-10-9

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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

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

Preparing Stock Solutions

The following data is based on the product molecular weight 596.45 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: 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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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.