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Pyrvinium pamoate

CAT: 0931-T7333-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7333-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3546-41-6
Target
Wnt/beta-catenin
Related Pathways
Cytoskeletal Signaling, Stem Cells
Purity
>99.99%
Bioactivity
Pyrvinium pamoate (Pyrvinium embonate) is an old anthelminthic medicine for the treatment of enterobiasis , which re-attracts attention as an anti-cancer drug due to its inhibition of Wnt/β-catenin pathway in some types of cancer.
Smiles
CN(C)c1ccc2[n+](C)c(C=Cc3cc(C)n(c3C)-c3ccccc3)ccc2c1.CN(C)c1ccc2[n+](C)c(C=Cc3cc(C)n(c3C)-c3ccccc3)ccc2c1.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C([O-])=O)C([O-])=O
Molecular Formula
C26H28N3 . 1/2 C23H14O6
Molecular Weight
575.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyrvinium Pamoate

Pyrvinium pamoate is a naphthoic acid. It has a role as an anticoronaviral agent.

CAS Number3546-41-6
PubChem CID54680693
IUPAC Name3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;bis(2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine)
Molecular FormulaC75H70N6O6
Molecular Weight1151.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count87
Formal Charge0
Complexity1120
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C(C=C4)N(C)C)C=C3)C.CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C(C=C4)N(C)C)C=C3)C.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)[O-])CC3=C(C(=CC4=CC=CC=C34)C(=O)O)[O-]
InChI
InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2
InChIKey
OOPDAHSJBRZRPH-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Pyrvinium Pamoate
CAS: 3546-41-6
CID: 54680693
Formula: C75H70N6O6
MW: 1151.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1151.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass1150.53568397
Monoisotopic Mass1150.53568397
Topological Polar Surface Area145 Ų
Heavy Atom Count87
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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