Basic information
- CAS
352519-21-2- Standard SMILES
CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21- InChIKey
TUOSCZDRWRYPRS-UHFFFAOYSA-N- Molecular formula
- C19H25N5O3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.19573968
Names & identifiers
- Preferred name
- 9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
- IUPAC
- 9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine
- English name
- 9-butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine
- Molecular formula
- C19H25N5O3
- Molecular weight
- 371.4335
Names & synonyms
352519-21-29-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amineDTXSID403322919-butyl-8-((3,4,5-trimethoxyphenyl)methyl)-9H-purin-6-amineRefChem:107782DTXCID30283384PU39-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amineCHEMBL1136909-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine9H-Purin-6-amine, 9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]-
Show more names
Purine-Based Inhibitor 11uymKFY1uy6DWS78Y29XMorb1701757SCHEMBL2604975BDBM15374
Database identifiers
- CAS
352519-21-2- PubChem CID
- 448965
- DTXSID
DTXSID40332291- ChEMBL
CHEMBL113690- UNII
- DWS78Y29XM
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.39
Chemistry & industry
Applications
DescriptionPU3 is an Hsp90 inhibitor.
UsesPU3 is an Hsp90 inhibitor that competes with geldanamycin (GM) and others for the conserved ATP/ADP pocket of Hsp90. PU3 also induces degradation of proteins such as Her2 and inhibits breast cancer cell growth by causing retinoblastoma protein hypophosphorylation, G1 arrest, and cell differentiation. PU3 has the potential to be a cancer inhibitor.[1].
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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