WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H562427
CAS#: 433248-87-4
Description: ZINC39395747 is a Cytochrome b5 reductase 3 (CYB5R3) inhibitor. It acts by increasing NO bioavailability.
Hodoodo Cat#: H562427
Name: ZINC39395747
CAS#: 433248-87-4
Chemical Formula: C12H9N3O2S2
Exact Mass: 291.01
Molecular Weight: 291.340
Elemental Analysis: C, 49.47; H, 3.11; N, 14.42; O, 10.98; S, 22.01
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.