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MedKoo Cat#: 465520 | Name: Thiowurtzine

Description:

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

Thiowurtzine is a novel Potent Inhibitor of the Opioid Receptors and the Ion Channels.

Chemical Structure

Thiowurtzine
Thiowurtzine
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465520

Name: Thiowurtzine

CAS#: unknown

Chemical Formula: C19H20Br2N6O5S

Exact Mass: 601.9583

Molecular Weight: 604.27

Elemental Analysis: C, 37.77; H, 3.34; Br, 26.45; N, 13.91; O, 13.24; S, 5.31

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
Thiowurtzine;
IUPAC/Chemical Name
N/A
InChi Key
MHMCXQJITGOOCM-SHOVEHRASA-N
InChi Code
InChI=1S/C19H20Br2N6O5S/c1-6(28)23-13-15-25(8(3)30)17(23)18-24(7(2)29)14(22-13)16(26(18)9(4)31)27(15)19(32)12-11(21)10(20)5-33-12/h5,13-18,22H,1-4H3/t13-,14?,15-,16?,17?,18+/m1/s1
SMILES Code
BrC1=C(C(N2C3N(C(C)=O)[C@@H]4N(C(C)=O)C3NC5C2N(C(C)=O)C4N5C(C)=O)=O)SC=C1Br
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 604.27 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: Aguero S, Megy S, Eremina VV, Kalashnikov AI, Krylova SG, Kulagina DA, Lopatina KA, Fournier M, Povetyeva TN, Vorozhtsov AB, Sysolyatin SV, Zhdanov VV, Terreux R. Discovery of a Novel Non-Narcotic Analgesic Derived from the CL-20 Explosive: Synthesis, Pharmacology, and Target Identification of Thiowurtzine, a Potent Inhibitor of the Opioid Receptors and the Ion Channels. ACS Omega. 2021 May 31;6(23):15400-15411. doi: 10.1021/acsomega.1c01786. PMID: 34151118; PMCID: PMC8210403. 2: Krylova SG, Lopatina KA, Nesterova YV, Povet'eva TN, Kul'pin PV, Afanas'eva OG, Kulagina DA, Safonova EA, Zueva EP, Suslov NI, Sysolyatin SV. Some Aspects of Investigation of the Central Mechanism of Antinociceptive Effect of a New Analgetic from the Hexaazaisowurtzitane Group. Bull Exp Biol Med. 2021 Apr;170(6):752-758. doi: 10.1007/s10517-021-05148-w. Epub 2021 Apr 24. PMID: 33893965. 3: Bryushinina OS, Yanovskaya EA, Abdrashitova NY, Zyuz'kova YG, Frelikh GA, Lopatina KA, Zueva EP, Krylova SG, Kulagina DA, Sysolyatin SV, Udut VV. Pharmacokinetics of a New Analgesic on the Basis of Hexaazaisowurtzitane Derivative. Bull Exp Biol Med. 2021 Feb;170(4):448-452. doi: 10.1007/s10517-021-05085-8. Epub 2021 Mar 13. PMID: 33713224. 4: Krylova SG, Povet'eva TN, Zueva EP, Suslov NI, Amosova EN, Razina TG, Lopatina KA, Rybalkina OY, Nesterova YV, Afanas'eva OG, Kiseleva EA, Sysolyatin SV, Kulagina DA, Zhdanov VV. Analgesic Activity of Hexaazaisowurtzitane Derivatives. Bull Exp Biol Med. 2019 Feb;166(4):461-465. doi: 10.1007/s10517-019-04372-9. Epub 2019 Feb 20. PMID: 30788739.