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PENAO

CAT: 0804-HY-16386-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16386-02Size:5 mg
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Description
PENAO is a potent tumour cell mitochondrial toxin. PENAO inactivates tumor cell mitochondria by targeting inner-membrane adenine nucleotide transferase[1].
CAS Number
1192411-43-0
UNSPSC
12352005
Target
Mitochondrial Metabolism
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer
Purity
96.65
Solubility
DMSO : 10 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N[C@H](C(C)(SCC(NC1=CC=C([As](O)O)C=C1)=O)C)C(O)=O
Molecular Formula
C13H19AsN2O5S
Molecular Weight
390.29
References & Citations
[1]Hogg PJ. Toxicokinetics of the tumour cell mitochondrial toxin, PENAO, in rodents. Invest New Drugs. 2021 Jun;39 (3) :756-763.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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