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Adenosine amine congener

CAT: 0804-HY-128064-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128064-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adenosine amine congener (ADAC) is a selective A1 adenosine receptor agonist, can ameliorate noise- and Cisplatin-induced cochlear injury. Adenosine amine congener also has neuroprotective effects[1][2].
CAS Number
96760-69-9
Product Name Alternative
ADAC
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/adenosine-amine-congener.html
Purity
99.23
Solubility
DMSO : 31.25 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(CC(NCCN)=O)C=C1)CC2=CC=C(NC3=NC=NC4=C3N=CN4[C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)C=C2
Molecular Formula
C28H32N8O6
Molecular Weight
576.60
Precautions
H302, H315, H319, H335
References & Citations
[1] Vlajkovic SM, et al. Adenosine amine congener as a cochlear rescue agent. Biomed Res Int. 2014;2014:841489.|[2]Vlajkovic SM, et al. Adenosine amine congener mitigates noise-induced cochlear injury. Purinergic Signal. 2010 Jun;6 (2) :273-81.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Adenosine amine congener

a highly potent & selective adenosine A1 receptor agonist

CAS Number96760-69-9
PubChem CID52943903
IUPAC NameN-(2-aminoethyl)-2-[4-[[2-[4-[[9-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide
Molecular FormulaC29H34N8O5
Molecular Weight574.6
XLogP1.2
Topological Polar Surface Area190
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity884
SMILES
CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4=CC=C(C=C4)CC(=O)NC5=CC=C(C=C5)CC(=O)NCCN)O)O
InChI
InChI=1S/C29H34N8O5/c1-2-21-25(40)26(41)29(42-21)37-16-34-24-27(32-15-33-28(24)37)36-20-9-5-18(6-10-20)14-23(39)35-19-7-3-17(4-8-19)13-22(38)31-12-11-30/h3-10,15-16,21,25-26,29,40-41H,2,11-14,30H2,1H3,(H,31,38)(H,35,39)(H,32,33,36)/t21-,25-,26-,29-/m1/s1
InChIKey
CVVBUSUGXRSMSK-MGAWLJPUSA-N
Chemical Structure
2D Structure
2D structure of Adenosine amine congener
CAS: 96760-69-9
CID: 52943903
Formula: C29H34N8O5
MW: 574.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.6
XLogP31.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass574.26521621
Monoisotopic Mass574.26521621
Topological Polar Surface Area190 Ų
Heavy Atom Count42
Formal Charge0
Complexity884
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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