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MedKoo Cat#: 573303 | Name: ATB-346, (S)-isomer

Description:

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

ATB-346, (S)-, is the S form of ATB-346. ATB-346 is a novel hydrogen sulfide-releasing anti-inflammatory drug which induces apoptosis of human melanoma cells and inhibits melanoma development in vivo.

Chemical Structure

ATB-346, (S)-isomer
ATB-346, (S)-isomer
CAS#1000700-29-7 (S isomer)

Theoretical Analysis

MedKoo Cat#: 573303

Name: ATB-346, (S)-isomer

CAS#: 1000700-29-7 (S isomer)

Chemical Formula: C21H19NO3S

Exact Mass: 365.1086

Molecular Weight: 365.45

Elemental Analysis: C, 69.02; H, 5.24; N, 3.83; O, 13.13; S, 8.77

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 #
1226895-20-0 (free base) 1000700-29-7 (S isomer)
Synonym
ATB-346 (S isomer); ATB346 (S isomer); ATB 346 (S isomer)
IUPAC/Chemical Name
2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 4-(aminothioxomethyl)phenyl ester, (alphaS)-
InChi Key
YCNMAPLPQYQJFC-ZDUSSCGKSA-N
InChi Code
1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)/t13-/m0/s1
SMILES Code
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)C(=S)N
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 365.45 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
1: Magierowski M, Magierowska K, Surmiak M, Hubalewska-Mazgaj M, Kwiecien S, Wallace JL, Brzozowski T. The effect of hydrogen sulfide-releasing naproxen (ATB-346) versus naproxen on formation of stress-induced gastric lesions, the regulation of systemic inflammation, hypoxia and alterations in gastric microcirculation. J Physiol Pharmacol. 2017 Oct;68(5):749-756. PubMed PMID: 29375050. 2: De Cicco P, Panza E, Ercolano G, Armogida C, Sessa G, Pirozzi G, Cirino G, Wallace JL, Ianaro A. ATB-346, a novel hydrogen sulfide-releasing anti-inflammatory drug, induces apoptosis of human melanoma cells and inhibits melanoma development in vivo. Pharmacol Res. 2016 Dec;114:67-73. doi: 10.1016/j.phrs.2016.10.019. Epub 2016 Oct 21. PubMed PMID: 27777130. 3: Blackler RW, De Palma G, Manko A, Da Silva GJ, Flannigan KL, Bercik P, Surette MG, Buret AG, Wallace JL. Deciphering the pathogenesis of NSAID enteropathy using proton pump inhibitors and a hydrogen sulfide-releasing NSAID. Am J Physiol Gastrointest Liver Physiol. 2015 Jun 15;308(12):G994-1003. PubMed PMID: 25882612. 4: Elsheikh W, Blackler RW, Flannigan KL, Wallace JL. Enhanced chemopreventive effects of a hydrogen sulfide-releasing anti-inflammatory drug (ATB-346) in experimental colorectal cancer. Nitric Oxide. 2014 Sep 15;41:131-7. doi: 10.1016/j.niox.2014.04.006. Epub 2014 Apr 18. PubMed PMID: 24747869.