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Zamaporvint

CAT: 0127-BUP01839-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01839-01Size:1 mg
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CAS Number
1900754-56-4
Synonyms
RXC004
Purity
=95%
Smiles
O=C(NC1=NC=C(C=C1)C=2N=CC=NC2)CN3C=NC(C=4C=CN=C(C4)C(F)(F)F)=C3C

Chemical Information

Zamaporvint

Zamaporvint is an orally available inhibitor of porcupine (PORCN), with potential antineoplastic activity. Upon oral administration, zamaporvint binds to and inhibits PORCN in the endoplasmic reticulum (ER), which blocks post-translational acylation of Wnt ligands and inhibits their secretion. This prevents the activation of Wnt ligands, interferes with Wnt-mediated signaling, and inhibits cell growth in Wnt-driven tumors. Porcupine, a membrane-bound O-acyltransferase (MBOAT), is required for the palmitoylation of Wnt ligands, and plays a key role in Wnt ligand secretion and activity. Wnt signaling is dysregulated in a variety of cancers.

CAS Number1900754-56-4
PubChem CID121273514
IUPAC Name2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
Molecular FormulaC21H16F3N7O
Molecular Weight439.4
XLogP1.7
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity637
SMILES
CC1=C(N=CN1CC(=O)NC2=NC=C(C=C2)C3=NC=CN=C3)C4=CC(=NC=C4)C(F)(F)F
InChI
InChI=1S/C21H16F3N7O/c1-13-20(14-4-5-27-17(8-14)21(22,23)24)29-12-31(13)11-19(32)30-18-3-2-15(9-28-18)16-10-25-6-7-26-16/h2-10,12H,11H2,1H3,(H,28,30,32)
InChIKey
QMLOYDPILBUVBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zamaporvint
CAS: 1900754-56-4
CID: 121273514
Formula: C21H16F3N7O
MW: 439.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass439.13684265
Monoisotopic Mass439.13684265
Topological Polar Surface Area98.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5819458Zamaporvint
E1486-25mgZamaporvint (RXC004)
A24256-5Zamaporvint (RXC004) 5mg
A24256-100Zamaporvint (RXC004) 100mg
A24256-50Zamaporvint (RXC004) 50mg
A24256-10Zamaporvint (RXC004) 10mg

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