MedKoo Cat#: 561097 | Name: D77

Description:

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

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

Chemical Structure

D77
D77
CAS#497836-10-9

Theoretical Analysis

MedKoo Cat#: 561097

Name: D77

CAS#: 497836-10-9

Chemical Formula: C28H22BrNO7S

Exact Mass: 595.0300

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 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 #
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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
More Info

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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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. 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