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;
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

Chemical compound

Enitociclib is an experimental drug that is being investigated for the treatment of cancer.^[1] It is an inhibitor of the kinase CDK9.^[2]^[3]

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[1] [1]
"Enitociclib - Vincerx Pharma". AdisInsight. Springer Nature Switzerland AG.

[pmid37552223-2] [2]
Morillo D, Vega G, Moreno V (August 2023). "CDK9 INHIBITORS: a promising combination partner in the treatment of hematological malignancies". Oncotarget. 14: 749–752. doi:10.18632/oncotarget.28473. PMC 10408673. PMID 37552223.

[pmid37882668-3] [3]
Frigault MM, Mithal A, Wong H, Stelte-Ludwig B, Mandava V, Huang X, et al. (November 2023). "Enitociclib, a Selective CDK9 Inhibitor, Induces Complete Regression of MYC+ Lymphoma by Downregulation of RNA Polymerase II Mediated Transcription". Cancer Research Communications. 3 (11): 2268–2279. doi:10.1158/2767-9764.CRC-23-0219. PMC 10634346. PMID 37882668.

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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
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

References

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