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Lx1606

CAS No.:
1033805-22-9
Catalog Number:
AG008THI
Molecular Formula:
C27H26ClF3N6O3
Molecular Weight:
574.9819
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$273
- +
10mg
99%
1 week
United States
$457
- +
50mg
99%
1 week
United States
$1390
- +
Product Description
Catalog Number:
AG008THI
Chemical Name:
Lx1606
CAS Number:
1033805-22-9
Molecular Formula:
C27H26ClF3N6O3
Molecular Weight:
574.9819
MDL Number:
MFCD18251583
IUPAC Name:
ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
InChI:
InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1
InChI Key:
MDSQOJYHHZBZKA-GBXCKJPGSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N
UNII:
8G388563M7
Properties
Complexity:
821  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
574.171g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
574.989g/mol
Monoisotopic Mass:
574.171g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
Telotristat Ethyl, a Tryptophan Hydroxylase Inhibitor for the Treatment of Carcinoid Syndrome. Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20170101
Telotristat ethyl: a new option for the management of carcinoid syndrome. Expert opinion on pharmacotherapy 20161201
Blocking peripheral serotonin synthesis by telotristat etiprate (LX1032/LX1606) reduces severity of both chemical- and infection-induced intestinal inflammation. American journal of physiology. Gastrointestinal and liver physiology 20150915
Telotristat etiprate, a novel serotonin synthesis inhibitor, in patients with carcinoid syndrome and diarrhea not adequately controlled by octreotide. Endocrine-related cancer 20141001
Pharmacological reduction of mucosal but not neuronal serotonin opposes inflammation in mouse intestine. Gut 20140601
Attractants for synanthropic flies. Identification of attractants and coattractants for Hippelates eye gnats (Diptera: Chloropidae). Journal of agricultural and food chemistry 19760101
Properties