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PF-00835231

CAT: 0607-BA2265-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2265-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870153-29-0
Form
A solid
Molecular Formula
C24H32N4O6
Molecular Weight
472.53
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

PF-00835231

PF-00835231 is a primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent and a drug metabolite. It is a secondary carboxamide, a primary alcohol, a L-leucine derivative, an aromatic ether, an indolecarboxamide and a member of pyrrolidin-2-ones.

CAS Number870153-29-0
PubChem CID11561899
IUPAC NameN-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Molecular FormulaC24H32N4O6
Molecular Weight472.5
XLogP1.6
Topological Polar Surface Area150
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity760
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
InChI
InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
InChIKey
QDIMHKWNHMVDJB-WBAXXEDZSA-N
Chemical Structure
2D Structure
2D structure of PF-00835231
CAS: 870153-29-0
CID: 11561899
Formula: C24H32N4O6
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP31.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass472.23218475
Monoisotopic Mass472.23218475
Topological Polar Surface Area150 Ų
Heavy Atom Count34
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BUP03286-01PF-00835231
BP180196-01PF 00835231
MBS579460PF-03084014 (PF-3084014)
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