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521064-34-6 | 4-[(4-bromophenyl)imino]-6-(5-chloro-2-methylphenyl)-1,4-dihydro-1,3,5-triazin-2-amine
CAS No: 521064-34-6 Catalog No: AG01FILK MDL No:
Product Description
Catalog Number:
AG01FILK
Chemical Name:
4-[(4-bromophenyl)imino]-6-(5-chloro-2-methylphenyl)-1,4-dihydro-1,3,5-triazin-2-amine
CAS Number:
521064-34-6
Molecular Formula:
C16H13BrClN5
Molecular Weight:
390.6649
IUPAC Name:
2-N-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C16H13BrClN5/c1-9-2-5-11(18)8-13(9)14-21-15(19)23-16(22-14)20-12-6-3-10(17)4-7-12/h2-8H,1H3,(H3,19,20,21,22,23)
InChI Key:
NUPGPJBRKLLVNK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N=c1nc(N)[nH]c(n1)c1cc(Cl)ccc1C
UNII:
5TT4A4MBLR
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.004g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.669g/mol
Monoisotopic Mass:
389.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Antileukemic activity of lysophosphatidic acid acyltransferase-beta inhibitor CT32228 in chronic myelogenous leukemia sensitive and resistant to imatinib. | Clinical cancer research : an official journal of the American Association for Cancer Research 20061101 |
| Effect of lysophosphatidic acid acyltransferase-beta inhibition in acute leukemia. | Leukemia research 20060801 |
| Lysophosphatidic acid acyltransferase-beta is a prognostic marker and therapeutic target in gynecologic malignancies. | Cancer research 20051015 |
| Induction of apoptosis using inhibitors of lysophosphatidic acid acyltransferase-beta and anti-CD20 monoclonal antibodies for treatment of human non-Hodgkin's lymphomas. | Clinical cancer research : an official journal of the American Association for Cancer Research 20050701 |
| Synthesis and SAR of 2-arylbenzoxazoles, benzothiazoles and benzimidazoles as inhibitors of lysophosphatidic acid acyltransferase-beta. | Bioorganic & medicinal chemistry letters 20040322 |
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