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MedKoo Cat#: 573930 | Name: ADS-J1

Description:

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

ADS-J1 is an HIV-1 entry inhibitor that potently inhibits seminal amyloid fibrillization and block fibril-mediated enhancement of viral infection. Semen-derived amyloid fibrils, comprising SEVI (semen-derived enhancer of viral infection) fibrils and SEM1 fibrils, may remarkably enhance HIV-1 sexual transmission and are potential targets for the development of an effective microbicide.

Chemical Structure

ADS-J1
CAS#70236-51-0 (sodium)

Theoretical Analysis

MedKoo Cat#: 573930

Name: ADS-J1

CAS#: 70236-51-0 (sodium)

Chemical Formula: C44H32N10Na4O16S4

Exact Mass: 1176.0471

Molecular Weight: 1176.99

Elemental Analysis: C, 44.90; H, 2.74; N, 11.90; Na, 7.81; O, 21.75; S, 10.90

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 #
83923-14-2 (free acid) 70236-51-0 (sodium)
Synonym
ADS-J1, ADSJ1, ADS J1
IUPAC/Chemical Name
sodium 4-hydroxy-5-((E)-(4-((4-((5-hydroxy-6-((E)-(2-methoxy-5-sulfonatophenyl)diazenyl)-7-sulfonatonaphthalen-2-yl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)naphthalene-2,7-disulfonate
InChi Key
ALPKFOALTCELEH-XHRANVDRSA-J
InChi Code
1S/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4/b53-51+,54-52+;;;;
SMILES Code
[Na+].[Na+].[Na+].[Na+].c1c(cc(c2c(cc(cc12)S(=O)(=O)[O-])\N=N\c1c(cc(c(c1)OC)Nc1nc(nc(n1)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(ccc(c1)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])Nc1ccccc1)C)O)S(=O)(=O)[O-]
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
>3 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 1,176.99 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: Li J, Yang Z, Liu H, Qiu M, Zhang T, Li W, Li Z, Qi T, Qiu Y, Li L, Zhou X, Liu S, Tan S. ADS-J1 disaggregates semen-derived amyloid fibrils. Biochem J. 2019 Mar 29;476(6):1021-1035. doi: 10.1042/BCJ20180886. PubMed PMID: 30877194. 2: Xun T, Li W, Chen J, Yu F, Xu W, Wang Q, Yu R, Li X, Zhou X, Lu L, Jiang S, Li L, Tan S, Liu S. ADS-J1 inhibits semen-derived amyloid fibril formation and blocks fibril-mediated enhancement of HIV-1 infection. Antimicrob Agents Chemother. 2015 Sep;59(9):5123-34. doi: 10.1128/AAC.00385-15. Epub 2015 Jun 8. PubMed PMID: 26055369; PubMed Central PMCID: PMC4538458. 3: Yu F, Lu L, Liu Q, Yu X, Wang L, He E, Zou P, Du L, Sanders RW, Liu S, Jiang S. ADS-J1 inhibits HIV-1 infection and membrane fusion by targeting the highly conserved pocket in the gp41 NHR-trimer. Biochim Biophys Acta. 2014 May;1838(5):1296-305. doi: 10.1016/j.bbamem.2013.12.022. Epub 2014 Jan 3. PubMed PMID: 24388952. 4: Wang H, Qi Z, Guo A, Mao Q, Lu H, An X, Xia C, Li X, Debnath AK, Wu S, Liu S, Jiang S. ADS-J1 inhibits human immunodeficiency virus type 1 entry by interacting with the gp41 pocket region and blocking fusion-active gp41 core formation. Antimicrob Agents Chemother. 2009 Dec;53(12):4987-98. doi: 10.1128/AAC.00670-09. Epub 2009 Sep 28. PubMed PMID: 19786602; PubMed Central PMCID: PMC2786362.