Alyssin
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MedKoo CAT#: 540010

CAS#: 646-23-1

Description: Alyssin is a sulforaphane homolog and antioxidant. It induces phase II enzymes and increases Nrf2 levels in adenocarcinoma cells. It is has been shown to decrease the metabolism of polycyclic aromatic hydrocarbons, supressing the risk of carcinogenesis in vitro.


Chemical Structure

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Alyssin
CAS# 646-23-1

Theoretical Analysis

MedKoo Cat#: 540010
Name: Alyssin
CAS#: 646-23-1
Chemical Formula: C7H13NOS2
Exact Mass: 191.0439
Molecular Weight: 191.3
Elemental Analysis: C, 43.95; H, 6.85; N, 7.32; O, 8.36; S, 33.52

Price and Availability

Size Price Availability Quantity
25.0mg USD 550.0 2 Weeks
50.0mg USD 950.0 2 Weeks
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Synonym: Alyssin

IUPAC/Chemical Name: 1-isothiocyanato-5-(methylsulfinyl)pentane

InChi Key: IUUQPVQTAUKPPB-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3

SMILES Code: O=S(CCCCCN=C=S)C

Appearance: liquid

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 191.3 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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1: Lubelska K, Misiewicz-Krzemińska I, Milczarek M, Krzysztoń-Russjan J, Anuszewska E, Modzelewska K, Wiktorska K. Isothiocyanate-drug interactions in the human adenocarcinoma cell line Caco-2. Mol Cell Biochem. 2012 Aug;367(1-2):19-29. doi: 10.1007/s11010-012-1314-y. Epub 2012 Apr 18. PubMed PMID: 22527941.

2: Skupinska K, Misiewicz-Krzeminska I, Lubelska K, Kasprzycka-Guttman T. The effect of isothiocyanates on CYP1A1 and CYP1A2 activities induced by polycyclic aromatic hydrocarbons in Mcf7 cells. Toxicol In Vitro. 2009 Aug;23(5):763-71. doi: 10.1016/j.tiv.2009.04.001. Epub 2009 Apr 9. PubMed PMID: 19362136.

3: Skupinska K, Misiewicz-Krzeminska I, Stypulkowski R, Lubelska K, Kasprzycka-Guttman T. Sulforaphane and its analogues inhibit CYP1A1 and CYP1A2 activity induced by benzo[a]pyrene. J Biochem Mol Toxicol. 2009 Jan-Feb;23(1):18-28. doi: 10.1002/jbt.20259. PubMed PMID: 19202560.

4: Misiewicz I, Skupinska K, Kasprzycka-Guttman T. Differential response of human healthy lymphoblastoid and CCRF-SB leukemia cells to sulforaphane and its two analogues: 2-oxohexyl isothiocyanate and alyssin. Pharmacol Rep. 2007 Jan-Feb;59(1):80-7. PubMed PMID: 17377210.

5: Kim MJ, Kim SH, Lim SJ. Comparison of the apoptosis-inducing capability of sulforaphane analogues in human colon cancer cells. Anticancer Res. 2010 Sep;30(9):3611-9. PubMed PMID: 20944144.

6: Kim SH, Singh SV. D,L-Sulforaphane causes transcriptional repression of androgen receptor in human prostate cancer cells. Mol Cancer Ther. 2009 Jul;8(7):1946-54. doi: 10.1158/1535-7163.MCT-09-0104. Epub 2009 Jul 7. PubMed PMID: 19584240; PubMed Central PMCID: PMC2779717.

7: Fahey JW, Stephenson KK, Wade KL, Talalay P. Urease from Helicobacter pylori is inactivated by sulforaphane and other isothiocyanates. Biochem Biophys Res Commun. 2013 May 24;435(1):1-7. doi: 10.1016/j.bbrc.2013.03.126. Epub 2013 Apr 11. PubMed PMID: 23583386; PubMed Central PMCID: PMC4618678.

Alyssin

25.0mg / USD 550.0