MedKoo Cat#: 562427 | Name: ZINC39395747

Description:

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

ZINC39395747 is a Cytochrome b5 reductase 3 (CYB5R3) inhibitor. It acts by increasing NO bioavailability.

Chemical Structure

ZINC39395747
ZINC39395747
CAS#433248-87-4

Theoretical Analysis

MedKoo Cat#: 562427

Name: ZINC39395747

CAS#: 433248-87-4

Chemical Formula: C12H9N3O2S2

Exact Mass: 291.0136

Molecular Weight: 291.34

Elemental Analysis: C, 49.47; H, 3.11; N, 14.42; O, 10.98; S, 22.01

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 #
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Synonym
ZINC39395747; ZINC-39395747; ZINC 39395747;
IUPAC/Chemical Name
6-(1,3-Benzoxazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChi Key
ZBZUSIRGXUAECB-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H9N3O2S2/c16-10-5-7(13-11(18)15-10)6-19-12-14-8-3-1-2-4-9(8)17-12/h1-5H,6H2,(H2,13,15,16,18)
SMILES Code
O=C(C=C(CSC1=NC2=CC=CC=C2O1)N3)NC3=S
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
>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 291.34 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: Rahaman MM, Reinders FG, Koes D, Nguyen AT, Mutchler SM, Sparacino-Watkins C, Alvarez RA, Miller MP, Cheng D, Chen BB, Jackson EK, Camacho CJ, Straub AC. Structure Guided Chemical Modifications of Propylthiouracil Reveal Novel Small Molecule Inhibitors of Cytochrome b5 Reductase 3 That Increase Nitric Oxide Bioavailability. J Biol Chem. 2015 Jul 3;290(27):16861-72. doi: 10.1074/jbc.M114.629964. Epub 2015 May 22. PubMed PMID: 26001785; PubMed Central PMCID: PMC4505432.