Products for Research Use Only
RegisterLogin

PU24FCl

CAT: 0931-T28473-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T28473-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
422508-46-1
Target
HSP, Others
Related Pathways
Cytoskeletal Signaling, Metabolism, Others
Bioactivity
PU24FCl is a specific inhibitor of tumor Hsp90.
Smiles
C(CCC#C)N1C=2C(N=C1CC3=C(Cl)C(OC)=C(OC)C(OC)=C3)=C(N)N=C(F)N2
Molecular Formula
C20H21ClFN5O3
Molecular Weight
433.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine

8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine is a member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively. It has a role as an antineoplastic agent and a Hsp90 inhibitor. It is a member of 6-aminopurines, an organofluorine compound, a member of methoxybenzenes, an acetylenic compound and a member of monochlorobenzenes. It is functionally related to an adenine.

CAS Number422508-46-1
PubChem CID448972
IUPAC Name8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynylpurin-6-amine
Molecular FormulaC20H21ClFN5O3
Molecular Weight433.9
XLogP3.5
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity610
SMILES
COC1=C(C(=C(C(=C1)CC2=NC3=C(N=C(N=C3N2CCCC#C)F)N)Cl)OC)OC
InChI
InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)
InChIKey
KCIOVTSUEXGUFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine
CAS: 422508-46-1
CID: 448972
Formula: C20H21ClFN5O3
MW: 433.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass433.1316954
Monoisotopic Mass433.1316954
Topological Polar Surface Area97.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19196676-01PU24FCl

Popular Products