Enitociclib

Enitociclib
Identifiers
	IUPAC name 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine;
CAS Number	1610408-97-3;
PubChem CID	139593425;
IUPHAR/BPS	11686;
DrugBank	DB17297;
ChemSpider	81367557;
UNII	1255AT22ZJ;
ChEBI	CHEBI:231682;
ChEMBL	ChEMBL4762845;
Chemical and physical data
Formula	C19H18F2N4O2S
Molar mass	404.44 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)C[S@@](=N)(=O)C;
	InChI InChI=nChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1; Key:YZCUMZWULWOUMD-NDEPHWFRSA-N;

Enitociclib is an experimental drug that is being investigated for the treatment of cancer.¹ It is an inhibitor of the kinase CDK9.²³

References

Identifiers

IUPAC name 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine
CAS Number	1610408-97-3
PubChem CID	139593425
IUPHAR/BPS	11686
DrugBank	DB17297
ChemSpider	81367557
UNII	1255AT22ZJ
ChEBI	CHEBI:231682
ChEMBL	ChEMBL4762845
Chemical and physical data
Formula	C₁₉H₁₈F₂N₄O₂S
Molar mass	404.44 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)C[S@@](=N)(=O)C
InChI InChI=nChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1 Key:YZCUMZWULWOUMD-NDEPHWFRSA-N