CAS 124555-18-6 | Adenosine, N-[(1S,2S)-2-hydroxycyclopentyl]- | CAS Number 124555-18-6

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124555-18-6 | Adenosine, N-[(1S,2S)-2-hydroxycyclopentyl]-

CAS No: 124555-18-6 Catalog No: AG000M75 MDL No:

Product Description

Catalog Number:

AG000M75

Chemical Name:

Adenosine, N-[(1S,2S)-2-hydroxycyclopentyl]-

CAS Number:

124555-18-6

Molecular Formula:

C15H21N5O5

Molecular Weight:

351.3577

IUPAC Name:

(2R,3R,4S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

InChI:

InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1

InChI Key:

GYWXTRVEUURNEW-TVDBPQCTSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O

UNII:

Q4H682B2VZ

Properties

Complexity:

474

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.154g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.363g/mol

Monoisotopic Mass:

351.154g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

146A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
Orally active adenosine A(1) receptor agonists with antinociceptive effects in mice.	Journal of medicinal chemistry 20120726
Multicentre evaluation of the adenosine agonist GR79236X in patients with dental pain after third molar extraction.	British journal of anaesthesia 20070501
Calcitonin gene-related peptide and substance P regulate the intestinal radiation response.	Clinical cancer research : an official journal of the American Association for Cancer Research 20060701
Adenosine receptors as therapeutic targets.	Nature reviews. Drug discovery 20060301
Lack of effect of the adenosine A1 receptor agonist, GR79236, on capsaicin-induced CGRP release in anaesthetized pigs.	Cephalalgia : an international journal of headache 20051101
Effect of the adenosine A1 receptor agonist GR79236 on trigeminal nociception with blink reflex recordings in healthy human subjects.	Cephalalgia : an international journal of headache 20030501
Adenosine A1 receptor agonists inhibit trigeminovascular nociceptive transmission.	Brain : a journal of neurology 20020601
Study of an adenosine A1 receptor agonist on trigeminally evoked dural blood vessel dilation in the anaesthetized rat.	Cephalalgia : an international journal of headache 20020501
Does a selective adenosine A(1) receptor agonist protect against exercise induced ischaemia in patients with coronary artery disease?	Heart (British Cardiac Society) 20020201
The effect of preconditioning (ischemic and pharmacological) on myocardial necrosis following coronary artery bypass graft surgery.	Cardiovascular research 20020101
Adenosine A(1) receptor-mediated inhibition of protein kinase A-induced calcitonin gene-related peptide release from rat trigeminal neurons.	Molecular pharmacology 20010601