2-Chloro-N6-cyclopentyladenosine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20ClN5O4
Molecular Weight	369.803
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Chloro-N6-cyclopentyladenosine

Structure Search

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C(NC4CCCC4)N=C(Cl)N=C23

InChI

InChIKey=XSMYYYQVWPZWIZ-IDTAVKCVSA-N

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

HIDE SMILES / InChI

Molecular Formula	C15H20ClN5O4
Molecular Weight	369.803
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A1 receptor 50 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16366590 \|https://www.ncbi.nlm.nih.gov/pubmed/7739005	Agonist 2678		0.83 nM [Ki]
Adenosine A3 receptor 24 Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16366590	Binding Agent 1064		38.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:45:51 GMT 2023` Edited by `admin` on `Sat Dec 16 15:45:51 GMT 2023`
Record UNII	JX2F2W6WSP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Chloro-N6-cyclopentyladenosine

Common Name

English

Adenosine, 2-chloro-N-cyclopentyl-

Common Name

English

2-Chloro-N-cyclopentyladenosine

Common Name

English

(2R,3R,4S,5R)-2-[2-Chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Systematic Name

English

CCPA

Common Name

English

Code System Code Type Description

WIKIPEDIA

CCPA (biochemistry)