| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| Other Sizes |
|
| Targets |
Antibiotic[1], IC50: 72 μM (trehalase)[2], Ki: 5.893 mM (tyrosinase)[3]
|
|---|---|
| ln Vitro |
Validamycin A (0.5–1 μg/mL; 18 hours) stops A from growing. conidial germination and inhibits flavus [1]. For human bronchial epithelial cells, validamycin A is not cytotoxic [1]. HIS85, HIS244, GLU256, HIS259, and ASN260 are among the residues in the tyrosinase active site that Validamycin A directly binds to [1].
|
| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: Aspergillus flavus ATCC204304 Tested Concentrations: 0.5 μg/mL, 1 μg/mL Incubation Duration: 18 hrs (hours) Experimental Results: Inhibited the growth of Aspergillus flavus. |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
In animals, cleavage to glucose and an amine residue. Biological Half-Life Less than or equal to 5 hr |
| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (rat) > 5,000 mg/m3 Non-Human Toxicity Values LD50 Rat oral > 20,000 mg/kg LD50 Mice oral > 20,000 mg/kg LD50 Rat percutaneous > 5000 mg/kg |
| References |
|
| Additional Infomation |
Validamycin A is a member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus. It has a role as an EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor, an EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor, an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor and an antifungal agrochemical. It is a member of validamycins, a secondary amino compound, a polyol and an antibiotic fungicide. It is a conjugate base of a validamycin A(1+).
Validamycin A has been reported in Streptomyces anthocyanicus, Streptomyces hygroscopicus, and Streptomyces lividans with data available. |
| Molecular Formula |
C20H35NO13
|
|---|---|
| Molecular Weight |
497.49
|
| Exact Mass |
497.21
|
| CAS # |
37248-47-8
|
| PubChem CID |
443629
|
| Appearance |
White to off-white solid powder
|
| Density |
1.7±0.1 g/cm3
|
| Boiling Point |
813.7±65.0 °C at 760 mmHg
|
| Melting Point |
130-135ºC
|
| Flash Point |
445.9±34.3 °C
|
| Vapour Pressure |
0.0±6.6 mmHg at 25°C
|
| Index of Refraction |
1.689
|
| LogP |
-5.43
|
| Hydrogen Bond Donor Count |
12
|
| Hydrogen Bond Acceptor Count |
14
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
34
|
| Complexity |
697
|
| Defined Atom Stereocenter Count |
14
|
| SMILES |
C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
|
| InChi Key |
JARYYMUOCXVXNK-CSLFJTBJSA-N
|
| InChi Code |
InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
|
| Chemical Name |
(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
|
| Solubility (In Vitro) |
H2O : 125 mg/mL (251.26 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (201.01 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0101 mL | 10.0505 mL | 20.1009 mL | |
| 5 mM | 0.4020 mL | 2.0101 mL | 4.0202 mL | |
| 10 mM | 0.2010 mL | 1.0050 mL | 2.0101 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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