Basic information
- CAS
95523-13-0- Standard SMILES
Nc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1- InChIKey
PMUVNAUPWLXPSA-LSCFUAHRSA-N- Molecular formula
- C17H20N6O4
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15460314
Names & identifiers
- Preferred name
- N(6)-(4-Aminobenzyl)adenosine
- IUPAC
- (2R,3R,4S,5R)-2-[6-[(4-aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- N6-(p-Aminobenzyl)adenosine
- Molecular formula
- C17H20N6O4
- Molecular weight
- 372.38
Names & synonyms
95523-13-04-AbzaN(6)-(4-Aminobenzyl)adenosineRefChem:160742N-[(4-Aminophenyl)methyl]adenosineN6-(p-Aminobenzyl)adenosine(2R,3R,4S,5R)-2-[6-[(4-aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolCHEMBL259188(2R,3R,4S,5R)-2-(6-((4-Aminobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolAdenosine, N-((4-aminophenyl)methyl)-Adenosine, N-[(4-aminophenyl)methyl]-PMUVNAUPWLXPSA-LSCFUAHRSA-N
Show more names
[125I]-N6-(4-Aminobenzyl)adenosineN [(4 Aminophenyl)methyl]adenosine,N[(4Aminophenyl)methyl]adenosine
T96n6-(4-aminobenzyl)adenosineN6-(p-aminobenzyl)-adenosineSCHEMBL639974orb1706936SCHEMBL30716127DTXSID30914949N(sup 6)(p-aminobenzyl)adenosine
Database identifiers
- CAS
95523-13-0- PubChem CID
- 125347
- DTXSID
DTXSID30914949- ChEMBL
CHEMBL259188- Nikkaji
- J1.102.844F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 749 · 749.0±70.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO
- pka
- 13.12 · 13.12±0.70(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesN-[(4-Aminophenyl)methyl]adenosine is a adenosine receptor inhibitor, with Ki of 29 nM for Rat ecto-5′-Nucleotidase. IC50 value: 29.0 ± 1.7 nM (Ki) Target: Adenosine Receptor
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Musechem+1-800-259-7612 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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