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| ln Vitro |
ACHN-975 has an IC50 of 0.02 nM and is directed against Enterobacteriaceae[1]. MIC90 values for ACHN-975 against Enterobacter, Pa, and Ab are 1, 0.5, and >64 μg/mL, respectively [1]. With a minimum inhibitory concentration (MIC) of less than 2 μg/ml, ACHN-975 demonstrated efficacy against all tested isolates of Pseudomonas aeruginosa. In relation to Pseudomonas aeruginosa, its MIC50 and MIC90 are, respectively, 0.06 and 0.25 μg/ml[2]. ACHN-975 targets 6 Pseudomonas aeruginosa isolates, and its MIC values against Pseudomonas aeruginosa APAE1064, APAE1232 and APAE1064 isolates are 0.12, 0.06 and 0.06 μg/ml respectively [2]. The first crucial step in the manufacture of lipid A is catalyzed by LpxC, a highly conserved protein in Gram-negative bacteria. The bacterial enzyme zinc-dependent metalloamidase UDP is known as LpxC.(R)-3-hydroxymyristoyl-3-O-[Deacetylase of -N-acetylglucosamine [1].
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| ln Vivo |
In all dosage groups, ACHN-975 TFA (ip; 5-30 mg/kg; single dose) caused a consistent drop in bacterial titers throughout the first four hours of therapy. The results of the sampling indicated that, two hours after treatment with the 10 mg/kg dose and four hours after treatment with the 30 mg/kg dose, the free drug levels in this model fell below the ACHN-975 MIC (0.25 μg/ml) for this isolate[2].
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| Animal Protocol |
Animal/Disease Models: Pseudomonas aeruginosa ATCC 27853[2] Neutropenic mouse thigh model
Doses: 5-30 mg/kg Route of Administration: intraperitonealadministration; single dose Experimental Results: bactericidal activity, anti-aeruginosa in vivo Pseudomonas sp. ATCC27853 strain. |
| References |
[1]. Kalinin DV, et al. Insights into the Zinc-Dependent Deacetylase LpxC: Biochemical Properties and Inhibitor Design. Curr Top Med Chem. 2016;16(21):2379-430.
[2]. Krause KM,et al. Potent LpxC Inhibitors with In Vitro Activity against Multidrug-Resistant Pseudomonas aeruginosa.Antimicrob Agents Chemother. 2019 Oct 22;63(11). pii: e00977-19. |
| Molecular Formula |
C22H24F3N3O6
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|---|---|
| Molecular Weight |
483.437676429749
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| Exact Mass |
483.161
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| CAS # |
1410809-37-8
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| Related CAS # |
ACHN-975;1410809-36-7
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| PubChem CID |
118237053
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
781
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC(C)([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#C[C@@H]2C[C@H]2CO)N.C(=O)(C(F)(F)F)O
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| InChi Key |
JDWOCPXDDCJBBA-UNLWNTODSA-N
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| InChi Code |
InChI=1S/C20H23N3O4.C2HF3O2/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24;3-2(4,5)1(6)7/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26);(H,6,7)/t15-,16+,17-;/m1./s1
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| Chemical Name |
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide;2,2,2-trifluoroacetic acid
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| Synonyms |
ACHN975 TFA; ACHN 975 TFA
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~206.85 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0685 mL | 10.3425 mL | 20.6851 mL | |
| 5 mM | 0.4137 mL | 2.0685 mL | 4.1370 mL | |
| 10 mM | 0.2069 mL | 1.0343 mL | 2.0685 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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