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

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 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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.


Dilution Calculator

Calculate the dilution required to prepare a stock solution.

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.

4: Oliveri B, Mastaglia SR, Brito GM, Seijo M, Keller GA, Somoza J, Diez RA, Di Girolamo G. Vitamin D3 seems more appropriate than D2 to sustain adequate levels of 25OHD: a pharmacokinetic approach. Eur J Clin Nutr. 2015 Jun;69(6):697-702. doi: 10.1038/ejcn.2015.16. Epub 2015 Mar 18. PubMed PMID: 25782422.

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.

6: Darkaoui S, Fassi Fihri O, Schereffer JL, Aboulfidaa N, Wasniewski M, Zouine K, Bouslikhane M, Yahia KI, Cliquet F. Immunogenicity and efficacy of Rabivac vaccine for animal rabies control in Morocco. Clin Exp Vaccine Res. 2016 Jan;5(1):60-9. doi: 10.7774/cevr.2016.5.1.60. Epub 2016 Jan 27. PubMed PMID: 26866025; PubMed Central PMCID: PMC4742601.

7: Santos S, Balas A, García-Sánchez F, Vesga MA, Vicario JL. Sequencing of two novel HLA-A*29 alleles, A*29:39 and A*29:40. Tissue Antigens. 2012 Dec;80(6):541-2. doi: 10.1111/tan.12013. Epub 2012 Oct 3. PubMed PMID: 23033953.

8: Wallace JM, Milne JS, Aitken RP, Adam CL. Influence of birth weight and gender on lipid status and adipose tissue gene expression in lambs. J Mol Endocrinol. 2014 Aug;53(1):131-44. doi: 10.1530/JME-14-0123. Epub 2014 Jun 13. PubMed PMID: 24928206.

9: He B, Mao C, Ru B, Han H, Zhou P, Huang J. Epitope mapping of metuximab on CD147 using phage display and molecular docking. Comput Math Methods Med. 2013;2013:983829. doi: 10.1155/2013/983829. Epub 2013 Jun 3. PubMed PMID: 23861727; PubMed Central PMCID: PMC3686076.

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.

11: Loh SN, Markley JL. Hydrogen bonding in proteins as studied by amide hydrogen D/H fractionation factors: application to staphylococcal nuclease. Biochemistry. 1994 Feb 1;33(4):1029-36. PubMed PMID: 8305430.

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.

17: Donovan J, Dufner M, Korennykh A. Structural basis for cytosolic double-stranded RNA surveillance by human oligoadenylate synthetase 1. Proc Natl Acad Sci U S A. 2013 Jan 29;110(5):1652-7. doi: 10.1073/pnas.1218528110. Epub 2013 Jan 14. PubMed PMID: 23319625; PubMed Central PMCID: PMC3562804.

18: Aris JP, Blobel G. Identification and characterization of a yeast nucleolar protein that is similar to a rat liver nucleolar protein. J Cell Biol. 1988 Jul;107(1):17-31. PubMed PMID: 3292539; PubMed Central PMCID: PMC2115186.

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.