9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile - CAS 1256579-06-2
Catalog: |
BB006178 |
Product Name: |
9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile |
CAS: |
1256579-06-2 |
Synonyms: |
9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile; 9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile |
IUPAC Name: | 9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile |
Description: | 9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile (CAS# 1256579-06-2) is an intermediate of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor capable of blocking the resistant gatekeeper mutant, which results in reduced cell growth. |
Molecular Weight: | 381.22 |
Molecular Formula: | C19H13BrN2O2 |
Canonical SMILES: | CC1(C2=CC(=C(C=C2C(=O)C3=C1NC4=C3C=CC(=C4)C#N)Br)O)C |
InChI: | InChI=1S/C19H13BrN2O2/c1-19(2)12-7-15(23)13(20)6-11(12)17(24)16-10-4-3-9(8-21)5-14(10)22-18(16)19/h3-7,22-23H,1-2H3 |
InChI Key: | FTLQDYMGJVZZLI-UHFFFAOYSA-N |
LogP: | 4.37798 |
Publication Number | Title | Priority Date |
EP-3556754-A1 | Process for the preparation of alectinib | 20181207 |
CN-110891947-A | Process for preparing ailutinib or a pharmaceutically acceptable salt thereof | 20170705 |
EP-3649116-A1 | A process for preparing alectinib or a pharmaceutically acceptable salt thereof | 20170705 |
US-2020140427-A1 | A process for preparing alectinib or a pharmaceutically acceptable salt thereof | 20170705 |
WO-2019008520-A1 | PROCESS FOR THE PREPARATION OF ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 20170705 |
Complexity: | 597 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.01604 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 76.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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