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AT-9010 (triethylamine)

CAT: 0804-HY-139165BSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-139165BSize:1 Each
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Description
AT-9010 triethylamine, a triphosphate active metabolite of AT-527, is a potent inhibitor of NiRAN (a function essential for viral replication) . AT-9010 triethylamine can inhibit SARS-CoV-2 replication[1].
CAS Number
2648089-95-4
UNSPSC
12352005
Target
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/at-9010-triethylamine.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@](F)(C)[C@H](N2C3=C(C(N=C(N3)N)=O)N=C2)O[C@@H]1COP(O)(OP(OP(O)(O)=O)(O)=O)=O.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC
Molecular Formula
C35H77FN9O13P3
Molecular Weight
943.96
References & Citations
[1]Atea Pharmaceuticals Announces Publication of Preclinical Data Highlighting Potent Activity of AT-527 Against SARS-CoV-2. BOSTON, Feb. 08, 2021. Atea Pharmaceuticals, Inc.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AT-9010 triethylamine
CAS Number2648089-95-4
PubChem CID168013214
IUPAC NameN,N-diethylethanamine;[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-imino-6-oxo-5H-purin-9-yl)-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC17H32FN6O13P3
Molecular Weight640.4
Topological Polar Surface Area273
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity1090
SMILES
CCN(CC)CC.C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3C2=NC(=N)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F
InChI
InChI=1S/C11H17FN5O13P3.C6H15N/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19;1-4-7(5-2)6-3/h3-6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,13,16,19)(H2,20,21,22);4-6H2,1-3H3/t4-,5?,6-,9-,11-;/m1./s1
InChIKey
IZZBJQQXPMZLRV-VGJFTDQKSA-N
Chemical Structure
2D Structure
2D structure of AT-9010 triethylamine
CAS: 2648089-95-4
CID: 168013214
Formula: C17H32FN6O13P3
MW: 640.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight640.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Exact Mass640.12242425
Monoisotopic Mass640.12242425
Topological Polar Surface Area273 Ų
Heavy Atom Count40
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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