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Cytochalasin A

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Category HIV Protease
CAS 14110-64-6
Description It is produced by the strain of Helminthosporium dematioideum, Coriolus vernicipes. It has many biological activities, such as inhibiting cytokinesis reversibly, inhibiting megasophil endocytosis and exocytosis. Cytochalasin A is an HIV protease inhibitor.
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Product Information

Synonyms NSC174119; Dehydrophomin; 5-Dehydrophomin; 5,5-Didehydrophomin; 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3E,9R,11E,12aS,13S,15S,15aS,16S,18aS)-; (7S,13E,16R,21E)-7-Hydroxy-16-methyl-10-phenyl-24-Oxa[14]cytochalasa-6(12),13,21-triene-1,20,23-trione; 16-Benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-2H-Oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione
IUPAC Name (1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione
Molecular Weight 477.59
Molecular Formula C29H35NO5
Canonical SMILES CC1CCCC(=O)C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O
InChI InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,23+,24+,26+,27-,29-/m1/s1
InChIKey ZMAODHOXRBLOQO-TZVKRXPSSA-N
Boiling Point 725.1 °C at 760 mmHg
Melting Point 185-187 °C
Flash Point 392.3±32.9 °C
Purity >98% by HPLC
Density 1.20 g/cm3
Solubility Soluble in Acetone; Slightly soluble in DMSO, Methanol
Appearance Off-White to White Solid
Storage -20 °C
Complexity 901
Exact Mass 477.25152322
Index Of Refraction 1.590
PSA 92.70000
Target HIV Protease; Fungal
Vapor Pressure 0.0±2.5 mmHg at 25°C
XLogP3-AA 3.3

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