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MedKoo Cat#: 524721 | Name: CI 986

Description:

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

CI 986 is a novel nonulcerogenic anti-inflammatory agent.

Chemical Structure

CI 986
CI 986
CAS#130116-16-4

Theoretical Analysis

MedKoo Cat#: 524721

Name: CI 986

CAS#: 130116-16-4

Chemical Formula: C21H35N3O2S2

Exact Mass:

Molecular Weight: 425.65

Elemental Analysis: C, 59.26; H, 8.29; N, 9.87; O, 7.52; S, 15.07

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 #
No Data
Synonym
CI 986; CI-986; CI986.
IUPAC/Chemical Name
2-hydroxy-N,N,N-trimethylethanaminium 2,6-di-tert-butyl-4-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)phenolate
InChi Key
BIZSVVIRPJXFOI-UHFFFAOYSA-M
InChi Code
InChI=1S/C16H22N2OS2.C5H14NO/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6;1-6(2,3)4-5-7/h7-8,19H,1-6H3,(H,18,20);7H,4-5H2,1-3H3/q;+1/p-1
SMILES Code
s1c([nH]nc1c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1)=S.[N+](CCO)(C)(C)C
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, not in water
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 425.65 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: Simard EP, Shiels MS, Bhatia K, Engels EA. Long-term cancer risk among people diagnosed with AIDS during childhood. Cancer Epidemiol Biomarkers Prev. 2012 Jan;21(1):148-54. doi: 10.1158/1055-9965.EPI-11-0823. Epub 2011 Nov 8. PubMed PMID: 22068287; PubMed Central PMCID: PMC3312034. 2: Kalichman SC, Amaral CM, Stearns H, White D, Flanagan J, Pope H, Cherry C, Cain D, Eaton L, Kalichman MO. Adherence to antiretroviral therapy assessed by unannounced pill counts conducted by telephone. J Gen Intern Med. 2007 Jul;22(7):1003-6. Epub 2007 Mar 28. PubMed PMID: 17390095; PubMed Central PMCID: PMC2219717. 3: Gök S, Ulker S, Hüseyinov A, Hatip FB, Cinar MG, Evinç A. Role of leukotrienes on coronary vasoconstriction in isolated hearts of arthritic rats: effect of in vivo treatment with CI-986, a dual inhibitor of cyclooxygenase and lipoxygenase. Pharmacology. 2000 Jan;60(1):41-6. PubMed PMID: 10629442. 4: Wright CD, Kennedy JA, Kuipers PJ, Ferin MA. Stimulus-dependent effects of CI-986 on arachidonic acid metabolism by human neutrophils. Inflamm Res. 1995 Feb;44(2):74-8. PubMed PMID: 7655988. 5: Schrier DJ, Baragi VM, Connor DT, Dyer RD, Jordan JH, Imre KM, Lesch ME, Mullican MD, Okonkwo GC, Conroy MC. The pharmacologic effects of 5-[3,5-bis(1,1-dimethylethyl)-4- hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione, choline salt (CI-986), a novel inhibitor of arachidonic acid metabolism in models of inflammation, analgesia and gastric irritation. Prostaglandins. 1994 Jan;47(1):17-30. PubMed PMID: 8140259. 6: Robertson DG, Loewen G, Walsh KM, Dethloff LA, Sigler RS, Dominick MA, Urda ER. Subacute and subchronic toxicology studies of CI-986, a novel anti-inflammatory compound. Fundam Appl Toxicol. 1993 May;20(4):446-55. PubMed PMID: 8314460. 7: Mullican MD, Wilson MW, Connor DT, Kostlan CR, Schrier DJ, Dyer RD. Design of 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazoles, -1,3,4-oxadiazoles, and -1,2,4-triazoles as orally-active, nonulcerogenic antiinflammatory agents. J Med Chem. 1993 Apr 16;36(8):1090-9. PubMed PMID: 8478906.

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CI 21100

CI 21100