Basic information
- CAS
170861-87-7- Standard SMILES
c1cc2nc(c1)CCNCCN(Cc1ccc(CN3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2- InChIKey
LYOIMQOXLSAORE-UHFFFAOYSA-N- Molecular formula
- C34H50N8
- Average molar mass
- 570.8 g/mol
- Monoisotopic mass
- 570.41584363
Names & identifiers
- Preferred name
- AMD-3329 free base
- IUPAC
- 7-[[4-(4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
- English name
- 4,7,10,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene, 7,7'-[1,4-phenylenebis(methylene)]bis-
- Molecular formula
- C34H50N8
- Molecular weight
- 570.81
Names & synonyms
AMD-3329 free baseUNII-BYK4DCV78WBYK4DCV78W170861-87-74,7,10,17-Tetraazabicyclo(11.3.1)heptadeca-1(17),13,15-triene, 7,7'-(1,4-phenylenebis(methylene))bis-RefChem:1995417-[[4-(4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trieneCHEMBL1202231CHEMBL338074orb1739221SCHEMBL31692763BDBM50369468
Show more names
4,7,10,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene, 7,7'-[1,4-phenylenebis(methylene)]bis-
7,7'-[1,4-Phenylenebis(methylene)]bis[4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene]Q27274966AMD-3329 free base, AMD3329 free base, AMD 3329 free base7-[[4-(4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-4,7,10,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Boiling point
- 736.6 · 736.6±55.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.20(Predicted)
- FDA UNII
- 4 DCV78W · BYK4DCV78W
Chemistry & industry
Applications
UsesAMD-3329 is a potent and selective anti-HIV-1 and HIV-2 agent, exhibiting activity by inhibiting virus replication through binding to the chemokine receptor CXCR4, which serves as a co-receptor for the entry of X4 viruses.
Suppliers2 total
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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