(2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CED0051627)

Record Information

Version

1.0

Creation Date

2026-08-19 11:29:49 UTC

Update Date

2026-08-19 11:29:49 UTC

Accession Number

CHEM185142

Identification

Common Name

(2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Class

Small Molecule

Description

(2r,3r,4s,5r)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the chemical formula C15H20ClN5O4 and an average molecular weight of 369.80 g/mol. It has been identified in or released from four recorded sources, including electrical and electronic equipment such as amplifiers and television systems, as well as building and construction materials specifically associated with floors, stairs, and ramps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀ClN₅O₄

Average Molecular Mass

369.800 g/mol

Monoisotopic Mass

369.120 g/mol

CAS Registry Number

37739-05-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1

InChI Key

XSMYYYQVWPZWIZ-IDTAVKCVSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2016.0	Log mg/kg	[1100:3600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	0.155698
Click to view 3D structure	Adenosine receptor A1	P28190	Bos taurus	Predicted (SEA)	0.0778492
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	0.467095
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	0.467095
Click to view 3D structure	Adenosine receptor A3	Q61618	Mus musculus	Predicted (SEA)	0.934191
Click to view 3D structure	Adenosine receptor A1	Q60612	Mus musculus	Predicted (SEA)	0.467095
Click to view 3D structure	A1 adenosine receptor	Q4VQ11	Sus scrofa	Predicted (SEA)	0.155698
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	0.0778492
Click to view 3D structure	Adenosine receptor A2a	Q60613	Mus musculus	Predicted (SEA)	0.155698
Click to view 3D structure	Adenosine receptor A2a	P46616	Cavia porcellus	Predicted (SEA)	1.40129
Click to view 3D structure	Adenosine receptor A1	P49892	Gallus gallus	Predicted (SEA)	2.25763
Click to view 3D structure	Heat shock protein HSP 90-alpha	P07900	Humans	Predicted (SEA)	6.46149
Click to view 3D structure	Endoplasmin	P14625	Humans	Predicted (SEA)	4.43741
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	15.7255
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	24.2111
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	36.8227
Click to view 3D structure	Equilibrative nucleoside transporter 1	Q99808	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	15.6477
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	2.49118
Click to view 3D structure	Adenosine receptor A3	O02667	Oryctolagus cuniculus	Predicted (SEA)	2.17978
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	9.03051