Home Nitriles 9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

CAS No.:
1256580-46-7
Catalog Number:
AG000O9H
Molecular Formula:
C30H34N4O2
Molecular Weight:
482.6166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$150
- +
250mg
98%
In Stock USA
United States
$250
- +
1g
98%
In Stock USA
United States
$625
- +
5g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG000O9H
Chemical Name:
9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CAS Number:
1256580-46-7
Molecular Formula:
C30H34N4O2
Molecular Weight:
482.6166
MDL Number:
MFCD19440988
IUPAC Name:
9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
InChI:
InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
InChI Key:
KDGFLJKFZUIJMX-UHFFFAOYSA-N
SMILES:
CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N
EC Number:
821-541-6
UNII:
LIJ4CT1Z3Y
Properties
Complexity:
867  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.268g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
482.628g/mol
Monoisotopic Mass:
482.268g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Cytotoxicity of 34 FDA approved small-molecule kinase inhibitors in primary rat and human hepatocytes. Toxicology letters 20180701
5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-((4-methylpiperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)phenyl)pyrimidine-2,4-diamine (WY-135), a novel ALK inhibitor, induces cell cycle arrest and apoptosis through inhibiting ALK and its downstream pathways in Karpas299 and H2228 cells. Chemico-biological interactions 20180325
ALK inhibitors in non-small cell lung cancer: the latest evidence and developments. Therapeutic advances in medical oncology 20160101
Alectinib: a review of its use in advanced ALK-rearranged non-small cell lung cancer. Drugs 20150101
Perfect ALKemy: optimizing the use of ALK-directed therapies in lung cancer. Clinical cancer research : an official journal of the American Association for Cancer Research 20141115
Two novel ALK mutations mediate acquired resistance to the next-generation ALK inhibitor alectinib. Clinical cancer research : an official journal of the American Association for Cancer Research 20141115
Selective ALK inhibitor alectinib with potent antitumor activity in models of crizotinib resistance. Cancer letters 20140901
Design and synthesis of a highly selective, orally active and potent anaplastic lymphoma kinase inhibitor (CH5424802). Bioorganic & medicinal chemistry 20120201
CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant. Cancer cell 20110517
KIF5B-ALK, a novel fusion oncokinase identified by an immunohistochemistry-based diagnostic system for ALK-positive lung cancer. Clinical cancer research : an official journal of the American Association for Cancer Research 20090501
Identification of the transforming EML4-ALK fusion gene in non-small-cell lung cancer. Nature 20070802
Properties