ML221

ML221 is a drug which is a selective, small-molecule antagonist for the apelin receptor. It is primarily used for research into the function of this receptor pathway, but also has potential medical applications.^{[1][2][3][4][5][6][7][8][9]}

CAS Number

• 877636-42-5

PubChem CID

• 7217941

FormulaC₁₇H₁₁N₃O₆S

Molar mass385.35 g·mol⁻¹

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ML221

Identifiers
IUPAC name 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate
CAS Number	877636-42-5
PubChem CID	7217941
Chemical and physical data
Formula	C17H11N3O6S
Molar mass	385.35 g·mol−1
3D model (JSmol)	Interactive image
SMILES C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2 Key:UASIRTUMPRQVFY-UHFFFAOYSA-N

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