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Cytochalasin A

CAT: 0013-GTR19206114-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206114-02Size:5 mg
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Description
Cytochalasin A is a fungal metabolite that inhibits HIV-1 protease and disrupts cytoskeletal dynamics by preventing actin polymerization and interfering with microtubule assembly. This cell-permeable compound is used in research to study viral replication, cell motility, and division in both cellular and biochemical assays.
CAS Number
14110-64-6
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
[H][C@]12[C@H] (Cc3ccccc3) NC (=O) C11OC (=O) \C=C\C (=O) CCC[C@@H] (C) C\C=C\C1[C@H] (O) C (=C) [C@H]2C
Molecular Formula
C29H35NO5
Molecular Weight
477.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cytochalasin A

Cytochalasin A is a cytochalasin.

CAS Number14110-64-6
PubChem CID5458383
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 FormulaC29H35NO5
Molecular Weight477.6
XLogP3.3
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity901
SMILES
C[C@@H]1CCCC(=O)/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](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
Chemical Structure
2D Structure
2D structure of Cytochalasin A
CAS: 14110-64-6
CID: 5458383
Formula: C29H35NO5
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass477.25152322
Monoisotopic Mass477.25152322
Topological Polar Surface Area92.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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