HT-61
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MedKoo CAT#: 526868

CAS#: 936622-80-9 (free base)

Description: HT-61, also known as HY-50A, is a pyrroloquinolone antibiotic potentially for the treatment of staphylococcal infections. HT61 was effective at reducing biofilm viability and was associated with increased expression of cell wall stress and division proteins, confirming its potential as a treatment for S. aureus biofilm infections. HT61 enhances the effect of tobramycin against Pseudomonas aeruginosa in vitro and in vivo.

Chemical Structure

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HT-61
CAS# 936622-80-9 (free base)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 526868
Name: HT-61
CAS#: 936622-80-9 (free base)
Chemical Formula: C26H24N2O
Exact Mass: 380.19
Molecular Weight: 380.491
Elemental Analysis: C, 82.07; H, 6.36; N, 7.36; O, 4.20

Price and Availability

Size Price Availability Quantity
5mg USD 150 Ready to ship
10mg USD 250 Ready to ship
25mg USD 550 Ready to ship
50mg USD 950 Ready to ship
100mg USD 1650 Ready to ship
200mg USD 2650 Ready to ship
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Related CAS #: 936622-80-9 (free base)    

Synonym: HT-61; HT61; HT 61; HY-50A; HY 50A; HY50A.

IUPAC/Chemical Name: 4-methyl-1-phenethyl-8-phenoxy-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline

InChi Key: XCZMUTGHJBFKPM-UHFFFAOYSA-N

InChi Code: InChI=1S/C26H24N2O/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3

SMILES Code: CC1=NC2=CC=C(OC3=CC=CC=C3)C=C2C4=C1CCN4CCC5=CC=CC=C5

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: HT-61, also known as HY-50A, is a pyrroloquinolone antibiotic potentially for the treatment of staphylococcal infections.
In vitro activity: The cellular response of planktonic and biofilm cultures following treatment with 0, 4, or 16 mg/liter HT61 was then investigated using ultraperformance liquid chromatography-mass spectrometryElevated Energy (UPLC/MSE). Treatment of planktonic cultures with a sub-MIC concentration of HT61 (4 mg/liter) revealed upregulation of MurD and MurI, two cell wall biosynthesis-associated proteins required for the incorporation of d-glutamate into cell wall peptidoglycans. Increasing the concentration of HT61 from 4 mg/liter to 16 mg/liter led to upregulation of 93% (14/15) of the proteins associated with cell wall biosynthesis, including 6 components of the mur ligase pathway. Proteins associated with DNA synthesis were also affected by HT61 treatment as well as treatment with 16 mg/liter HT61 led to increased expression of proteins associated with DNA maintenance, including three protein with helicase activity (PcrA, GyrA, and ParE). Reference: Antimicrob Agents Chemother. 2020 Apr 21;64(5):e02073-19. https://pubmed.ncbi.nlm.nih.gov/32122902/
In vivo activity: In an attempt to develop HT61 as a topical agent to clear MSSA and MRSA, it was investigated if HT61 killed MSSA and MRSA on mouse skin. Log phase or stationary phase MSSA or MRSA were applied onto the intact skin of live mice at 107 CFU per 2 cm2 followed by immediate treatment with 45 µl of HY50A (gel containing 1% HT61) or 45 µl of Bactroban ointment (GlaxoSmithKline containing 2% mupirocin) or 45 µl of placebo. After two hours of treatment, HT61 removed 100% stationary phase MSSA and 93% stationary phase MRSA on the mouse skin. HT61 killed 55% of the bacteria on the skin for log phase MSSA. Reference: PLoS One. 2010 Jul 27;5(7):e11818. https://pubmed.ncbi.nlm.nih.gov/20676403/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 0.0 0.00

Preparing Stock Solutions

The following data is based on the product molecular weight 380.49 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
Formulation protocol: 1. Frapwell CJ, Skipp PJ, Howlin RP, Angus EM, Hu Y, Coates ARM, Allan RN, Webb JS. Antimicrobial Activity of the Quinoline Derivative HT61 against Staphylococcus aureus Biofilms. Antimicrob Agents Chemother. 2020 Apr 21;64(5):e02073-19. doi: 10.1128/AAC.02073-19. PMID: 32122902; PMCID: PMC7179629. 2. Hubbard AT, Barker R, Rehal R, Vandera KA, Harvey RD, Coates AR. Mechanism of Action of a Membrane-Active Quinoline-Based Antimicrobial on Natural and Model Bacterial Membranes. Biochemistry. 2017 Feb 28;56(8):1163-1174. doi: 10.1021/acs.biochem.6b01135. Epub 2017 Feb 13. PMID: 28156093. 3. . Hu Y, Shamaei-Tousi A, Liu Y, Coates A. A new approach for the discovery of antibiotics by targeting non-multiplying bacteria: a novel topical antibiotic for staphylococcal infections. PLoS One. 2010 Jul 27;5(7):e11818. doi: 10.1371/journal.pone.0011818. PMID: 20676403; PMCID: PMC2910736. 4. Amison RT, Faure ME, O'Shaughnessy BG, Bruce KD, Hu Y, Coates A, Page CP. The small quinolone derived compound HT61 enhances the effect of tobramycin against Pseudomonas aeruginosa in vitro and in vivo. Pulm Pharmacol Ther. 2020 Apr;61:101884. doi: 10.1016/j.pupt.2019.101884. Epub 2019 Dec 27. PMID: 31887372.
In vitro protocol: 1. Frapwell CJ, Skipp PJ, Howlin RP, Angus EM, Hu Y, Coates ARM, Allan RN, Webb JS. Antimicrobial Activity of the Quinoline Derivative HT61 against Staphylococcus aureus Biofilms. Antimicrob Agents Chemother. 2020 Apr 21;64(5):e02073-19. doi: 10.1128/AAC.02073-19. PMID: 32122902; PMCID: PMC7179629. 2. Hubbard AT, Barker R, Rehal R, Vandera KA, Harvey RD, Coates AR. Mechanism of Action of a Membrane-Active Quinoline-Based Antimicrobial on Natural and Model Bacterial Membranes. Biochemistry. 2017 Feb 28;56(8):1163-1174. doi: 10.1021/acs.biochem.6b01135. Epub 2017 Feb 13. PMID: 28156093.
In vivo protocol: 1. . Hu Y, Shamaei-Tousi A, Liu Y, Coates A. A new approach for the discovery of antibiotics by targeting non-multiplying bacteria: a novel topical antibiotic for staphylococcal infections. PLoS One. 2010 Jul 27;5(7):e11818. doi: 10.1371/journal.pone.0011818. PMID: 20676403; PMCID: PMC2910736. 2. Amison RT, Faure ME, O'Shaughnessy BG, Bruce KD, Hu Y, Coates A, Page CP. The small quinolone derived compound HT61 enhances the effect of tobramycin against Pseudomonas aeruginosa in vitro and in vivo. Pulm Pharmacol Ther. 2020 Apr;61:101884. doi: 10.1016/j.pupt.2019.101884. Epub 2019 Dec 27. PMID: 31887372.

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1: Frapwell CJ, Skipp PJ, Howlin RP, Angus EM, Hu Y, Coates ARM, Allan RN, Webb JS. Antimicrobial Activity of the Quinoline Derivative HT61 against Staphylococcus aureus Biofilms. Antimicrob Agents Chemother. 2020 Apr 21;64(5):e02073-19. doi: 10.1128/AAC.02073-19. PMID: 32122902; PMCID: PMC7179629.


2: Amison RT, Faure ME, O'Shaughnessy BG, Bruce KD, Hu Y, Coates A, Page CP. The small quinolone derived compound HT61 enhances the effect of tobramycin against Pseudomonas aeruginosa in vitro and in vivo. Pulm Pharmacol Ther. 2020 Apr;61:101884. doi: 10.1016/j.pupt.2019.101884. Epub 2019 Dec 27. PMID: 31887372.


3: Hubbard AT, Coates AR, Harvey RD. Comparing the action of HT61 and chlorhexidine on natural and model Staphylococcus aureus membranes. J Antibiot (Tokyo). 2017 Oct;70(10):1020-1025. doi: 10.1038/ja.2017.90. Epub 2017 Aug 2. PMID: 28765589.


4: Hubbard AT, Barker R, Rehal R, Vandera KA, Harvey RD, Coates AR. Mechanism of Action of a Membrane-Active Quinoline-Based Antimicrobial on Natural and Model Bacterial Membranes. Biochemistry. 2017 Feb 28;56(8):1163-1174. doi: 10.1021/acs.biochem.6b01135. Epub 2017 Feb 13. PMID: 28156093.


5: Hu Y, Coates AR. Enhancement by novel anti-methicillin-resistant Staphylococcus aureus compound HT61 of the activity of neomycin, gentamicin, mupirocin and chlorhexidine: in vitro and in vivo studies. J Antimicrob Chemother. 2013 Feb;68(2):374-84. doi: 10.1093/jac/dks384. Epub 2012 Oct 4. PMID: 23042813.


6: Hu Y, Shamaei-Tousi A, Liu Y, Coates A. A new approach for the discovery of antibiotics by targeting non-multiplying bacteria: a novel topical antibiotic for staphylococcal infections. PLoS One. 2010 Jul 27;5(7):e11818. doi: 10.1371/journal.pone.0011818. PMID: 20676403; PMCID: PMC2910736.


7: Ikushima M, Matsui K, Yamada F, Kawahashi S, Nishikawa SK. Specific immune response to a synthetic peptide derived from outer surface protein C of Borrelia burgdorferi predicts protective borreliacidal antibodies. FEMS Immunol Med Microbiol. 2000 Sep;29(1):15-21. doi: 10.1111/j.1574-695X.2000.tb01499.x. PMID: 10967255.