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PENAO

CAT: 0013-GTR19257568-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257568-02Size:10 mg
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Description
PENAO is a potent mitochondrial toxin for tumor cells. It deactivates the mitochondria of tumor cells by targeting the adenine nucleotide translocase in the cell membrane.
CAS Number
1192411-43-0
Field of Research
Metabolism Research
Smiles
N (C (CSC ([C@H] (C (O) =O) N) (C) C) =O) C1=CC=C ([As] (O) O) C=C1
Molecular Formula
C13H19AsN2O5S
Molecular Weight
390.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Penao
CAS Number1192411-43-0
PubChem CID16049815
IUPAC Name(2S)-2-amino-3-[2-(4-dihydroxyarsanylanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
Molecular FormulaC13H19AsN2O5S
Molecular Weight390.29
Topological Polar Surface Area158
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity400
SMILES
CC(C)([C@H](C(=O)O)N)SCC(=O)NC1=CC=C(C=C1)[As](O)O
InChI
InChI=1S/C13H19AsN2O5S/c1-13(2,11(15)12(18)19)22-7-10(17)16-9-5-3-8(4-6-9)14(20)21/h3-6,11,20-21H,7,15H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey
BTIKNFALDXFWCX-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Penao
CAS: 1192411-43-0
CID: 16049815
Formula: C13H19AsN2O5S
MW: 390.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.29
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass390.023062
Monoisotopic Mass390.023062
Topological Polar Surface Area158 Ų
Heavy Atom Count22
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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