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PU-11

CAT: 0931-T24684-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24684-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1454619-18-1
Target
Others
Related Pathways
Others
Bioactivity
PU-11 is an inhibitor of Hsp90-selective.
Smiles
C(/C=C/C)N1C=2C(N=C1CC3=CC(OC)=C(OC)C(OC)=C3)=C(N)N=CN2
Molecular Formula
C19H23N5O3
Molecular Weight
369.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-9-(But-2-en-1-yl)-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CAS Number1454619-18-1
PubChem CID44376524
IUPAC Name9-[(E)-but-2-enyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine
Molecular FormulaC19H23N5O3
Molecular Weight369.4
XLogP2.6
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity480
SMILES
C/C=C/CN1C(=NC2=C(N=CN=C21)N)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+
InChIKey
ZAFMHPQRCYVTLV-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of (E)-9-(But-2-en-1-yl)-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CAS: 1454619-18-1
CID: 44376524
Formula: C19H23N5O3
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass369.18008961
Monoisotopic Mass369.18008961
Topological Polar Surface Area97.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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