ZINC05626394
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 562428

CAS#: 189057-68-9

Description: ZINC05626394 is a Cytochrome b5 reductase 3 (CYB5R3) inhibitor. It acts by increasing NO bioavailability.


Chemical Structure

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ZINC05626394
CAS# 189057-68-9

Theoretical Analysis

MedKoo Cat#: 562428
Name: ZINC05626394
CAS#: 189057-68-9
Chemical Formula: C11H10N2OS2
Exact Mass: 250.02
Molecular Weight: 250.334
Elemental Analysis: C, 52.78; H, 4.03; N, 11.19; O, 6.39; S, 25.61

Price and Availability

Size Price Availability Quantity
5.0mg USD 230.0 2 Weeks
25.0mg USD 580.0 2 Weeks
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Synonym: ZINC05626394; ZINC-05626394; ZINC 05626394;

IUPAC/Chemical Name: 6-((phenylthio)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

InChi Key: VNTBGGWDZYETPH-UHFFFAOYSA-N

InChi Code: InChI=1S/C11H10N2OS2/c14-10-6-8(12-11(15)13-10)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H2,12,13,14,15)

SMILES Code: O=C(C=C(CSC1=CC=CC=C1)N2)NC2=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

Preparing Stock Solutions

The following data is based on the product molecular weight 250.334 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: 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.