IUPAC/Chemical Name
6-((4,4-Dimethylcyclohexyl)methyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
InChi Key
WKDRRKVUJLNFSR-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
SMILES Code
O=C1C(C2=CC=CC=C2)=C(O)C=C(CC3CCC(C)(C)CC3)N1
Appearance
To be determined
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
311.43
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 |
1: McNeil MB, Dennison D, Shelton C, Flint L, Korkegian A, Parish T. Mechanisms of resistance against NITD-916, a direct inhibitor of Mycobacterium tuberculosis InhA. Tuberculosis (Edinb). 2017 Dec;107:133-136. doi: 10.1016/j.tube.2017.09.003. Epub 2017 Sep 13. Erratum in: Tuberculosis (Edinb). 2018 Feb 8;: PMID: 29050761; PMCID: PMC5679704.
2: McNeil MB, Dennison D, Shelton C, Flint L, Korkegian A, Parish T. Corrigendum to "Mechanisms of resistance against NITD-916, a direct inhibitor of Mycobacterium tuberculosis InhA" [Tuberculosis 107 (December 2017) 133-136]. Tuberculosis (Edinb). 2018 May;110:123. doi: 10.1016/j.tube.2018.02.001. Epub 2018 Feb 21. Erratum for: Tuberculosis (Edinb). 2017 Dec;107:133-136. PMID: 29429955.
3: Alcaraz M, Roquet-Banères F, Leon-Icaza SA, Abendroth J, Boudehen YM, Cougoule C, Edwards TE, Kremer L. Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA. ACS Infect Dis. 2022 Sep 15. doi: 10.1021/acsinfecdis.2c00314. Epub ahead of print. PMID: 36107992.
4: Flint L, Korkegian A, Parish T. InhA inhibitors have activity against non- replicating Mycobacterium tuberculosis. PLoS One. 2020 Nov 17;15(11):e0239354. doi: 10.1371/journal.pone.0239354. PMID: 33201882; PMCID: PMC7671525.
5: Manjunatha UH, S Rao SP, Kondreddi RR, Noble CG, Camacho LR, Tan BH, Ng SH, Ng PS, Ma NL, Lakshminarayana SB, Herve M, Barnes SW, Yu W, Kuhen K, Blasco F, Beer D, Walker JR, Tonge PJ, Glynne R, Smith PW, Diagana TT. Direct inhibitors of InhA are active against Mycobacterium tuberculosis. Sci Transl Med. 2015 Jan 7;7(269):269ra3. doi: 10.1126/scitranslmed.3010597. PMID: 25568071; PMCID: PMC4383039.
