Cx-5461
2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
Molecular Identity
Cx-5461
2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID: 25257557
CX-5461 is an organic heterotetracyclic compound that is 5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid substituted by a 4-methyl-1,4-diazepan-1-yl group at position 2 and in which the carboxy group at position 6 is substituted by a [(5-methylpyrazin-2-yl)methyl]nitrilo group. An inhibitor of ribosomal RNA (rRNA) synthesis which specifically inhibits RNA polymerase I-driven transcription of rRNA in several cancer cell lines. It is currently in phase I/II clinical trials for advanced hematologic malignancies and triple-negative breast cancer with BRCA1/2 mutation. It has a role as an antineoplastic agent, an EC 2.7.7.6 (RNA polymerase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, an organic heterotetracyclic compound, a member of pyrazines, a diazepine and a naphthyridine derivative.
2D Structure
Properties
C27H27N7O2S
Molecular Formula
513.60
Molecular Weight
g/mol
513.1947
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
915
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)CIsomeric SMILES
SMILES: CC1=CN=C(C=N1)CNC(=O)C2=C3N(C4=CC=CC=C4S3)C5=C(C2=O)C=CC(=N5)N6CCCN(CC6)CSynonyms(20)
CX-54611138549-36-6Pidnarulex2-(4-methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamideCX 5461CX54613R4C5YLB9I2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamideCHEBI:156287DTXSID201505912-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo(4,5)thiazolo(3,2-a)(1,8)naphthyridine-6-carboxamide5H-BENZOTHIAZOLO(3,2-A)(1,8)NAPHTHYRIDINE-6-CARBOXAMIDE, 2-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-N-((5-METHYL-2-PYRAZINYL)METHYL)-5-OXO-2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-(1,3)benzothiazolo(3,2-a)(1,8)naphthyridine-6-carboxamide2-(4-Methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide5H-Benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-
Data from PubChem (NCBI)
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