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AMP-579

CAT: 0931-T26621-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26621-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143395-98-6
Target
Others
Related Pathways
Others
Bioactivity
AMP-579 is an adenosine A1 receptor agonist. AMP-579 also acts as a A2b-adenosine receptor agonist in human 293 cells and rabbit hearts.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(N[C@@H](CC4=C(Cl)C=CS4)CC)C=CN3)C[C@H](C(NCC)=O)[C@H]1O
Molecular Formula
C22H28ClN5O3S
Molecular Weight
478.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(7-(((1R)-1-((3-Chloro-2-thienyl)methyl)propyl)amino)-3H-imidazo(4,5-b)pyridin-3-yl)-N-ethyl-2,3-dihydroxycyclopentanecarboxamide, (1S,2R,3S,4R)-
CAS Number143395-98-6
PubChem CID6918429
IUPAC Name(1S,2R,3S,4R)-4-[7-[[(2R)-1-(3-chlorothiophen-2-yl)butan-2-yl]amino]imidazo[4,5-b]pyridin-3-yl]-N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
Molecular FormulaC22H28ClN5O3S
Molecular Weight478.0
XLogP3
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity649
SMILES
CC[C@H](CC1=C(C=CS1)Cl)NC2=C3C(=NC=C2)N(C=N3)[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C(=O)NCC
InChI
InChI=1S/C22H28ClN5O3S/c1-3-12(9-17-14(23)6-8-32-17)27-15-5-7-25-21-18(15)26-11-28(21)16-10-13(19(29)20(16)30)22(31)24-4-2/h5-8,11-13,16,19-20,29-30H,3-4,9-10H2,1-2H3,(H,24,31)(H,25,27)/t12-,13+,16-,19-,20+/m1/s1
InChIKey
DNPNXAXAKNFJDD-GFOALDQYSA-N
Chemical Structure
2D Structure
2D structure of 4-(7-(((1R)-1-((3-Chloro-2-thienyl)methyl)propyl)amino)-3H-imidazo(4,5-b)pyridin-3-yl)-N-ethyl-2,3-dihydroxycyclopentanecarboxamide, (1S,2R,3S,4R)-
CAS: 143395-98-6
CID: 6918429
Formula: C22H28ClN5O3S
MW: 478.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.0
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass477.1601386
Monoisotopic Mass477.1601386
Topological Polar Surface Area141 Ų
Heavy Atom Count32
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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