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CAS No.: | 58880-19-6 |
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Name: | TRICHOSTATIN A |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C17H22N2O3 |
Molecular Weight: | 302.373 |
Synonyms: | 2,4-Heptadienamide,7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, [R-(E,E)]-;(R)-Trichostatin A;TSA;Trichostatin A; |
EINECS: | 611-758-2 |
Density: | 1.139 g/cm3 |
Melting Point: | 141°C -143°C |
Solubility: | Soluble in ethanol: 1 mg/mL |
Appearance: | Off-white powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38-43 |
Safety: | 26-36 |
PSA: | 69.64000 |
LogP: | 2.97020 |
This chemical is called 2,4-Heptadienamide,7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, (2E,4E,6R)-, and its systematic name is (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide. With the CAS registry number of 58880-19-6, its classification codes are Anti-Infective Agents; Antibiotics, Antifungal; Antifungal Agents; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Mutation Data; Protein Synthesis Inhibitors. Additionally, it should be stored at the temperature of −20 °C.
Other characteristics of the 2,4-Heptadienamide,7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, (2E,4E,6R)- can be summarised as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 75.05; (6)ACD/BCF (pH 7.4): 72.95; (7)ACD/KOC (pH 5.5): 765.41; (8)ACD/KOC (pH 7.4): 744; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 88.1 cm3; (15)Molar Volume: 265.3 cm3; (16)Polarizability: 34.92×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.139 g/cm3.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NO)\C=C\C(=C\[C@H](C(=O)c1ccc(N(C)C)cc1)C)C
2.InChI: InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
3. InChIKey: RTKIYFITIVXBLE-QEQCGCAPBF