Basic information
- CAS
20125-39-7- Standard SMILES
OCC1OC(n2cnc3c(NCCc4ccccc4)ncnc32)C(O)C1O- InChIKey
LGZYEDZSPHLISU-UHFFFAOYSA-N- Molecular formula
- C18H21N5O4
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.15935417
Names & identifiers
- Preferred name
- Adenosine,6N-2-phenylethyl
- IUPAC
- 2-(hydroxymethyl)-5-[6-(2-phenylethylamino)purin-9-yl]oxolane-3,4-diol
- English name
- N6-(2-Phenylethyl)adenosine
- Molecular formula
- C18H21N5O4
- Molecular weight
- 371.39
Names & synonyms
ADENOSINE,6N-2-PHENYLETHYLDTXSID00875053RefChem:317290DTXCID501013176NOCAS_875053n6-phenethyladenosineSMR000326857N6-(2-PHENYLETHYL)-ADENOSINENSC2813109-pentofuranosyl-n-(2-phenylethyl)-9h-purin-6-amineN6-Phenethyladenosine;N6-PhenylethyladenosineMLS000859998
Show more names
N6-PhenylethyladenosineN6-(2-Phenylethyl)adenosineAdenosine, N-(2-phenylethyl)-N(sup 6)(2-phenylethyl)adenosineN6-(2-Phenylethyl)adenosine, 10 mM in DMSON6-PHENYLETHYLADENOSINE SELECTIVE A1 ADE NOSINN6-PHENYLETHYLADENOSINE(2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-(phenethylaMino)-9H-purin-9-yl)tetrahydrofuran-3,4-diolP1 receptor,A1AR,derivative,N-6-(2-Phenylethyl)adenosine,Adenosine Receptor,Inhibitor,N6 (2 Phenylethyl)adenosine,inhibit,A3AR,N6(2Phenylethyl)adenosine,A2AR,adenosine
MLS002153479HMS2234J13NSC-281310ST110574
Database identifiers
- CAS
20125-39-7- PubChem CID
- 4398
- DTXSID
DTXSID00875053
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
Experimental & physicochemical properties
Solubility>55.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 167 · 167-168 °C
- Boiling point
- 723.5 · 723.5±70.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 0.1 M · 0.1 M NaOH: soluble
- form
- Solid
- pka
- 13.12 · 13.12±0.70(Predicted)
- color
- White to off-white
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Applications
UsesN6-(2-Phenylethyl)adenosine is an adenosine analogs that possesses anti-proliferative activity on bladder cancer cells. Potent ligands at the human A3 adenosine receptor.
Suppliers24 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [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]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-55159968 18137130222 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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