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Telotristat Etiprate

CAS No.:
1137608-69-5
Catalog Number:
AG008THJ
Molecular Formula:
C36H35ClF3N7O6
Molecular Weight:
754.1546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$154
- +
10mg
99%
1 week
United States
$210
- +
50mg
99%
1 week
United States
$383
- +
Product Description
Catalog Number:
AG008THJ
Chemical Name:
Telotristat Etiprate
CAS Number:
1137608-69-5
Molecular Formula:
C36H35ClF3N7O6
Molecular Weight:
754.1546
MDL Number:
MFCD22741520
IUPAC Name:
2-benzamidoacetic acid;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.C9H9NO3/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;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35);1-5H,6H2,(H,10,13)(H,11,12)/t20-,24+;/m0./s1
InChI Key:
XSFPZBUIBYMVEA-CELUQASASA-N
SMILES:
OC(=O)CNC(=O)c1ccccc1.CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@H](c1ccc(cc1n1ccc(n1)C)Cl)C(F)(F)F)N
UNII:
3T25U84H4U
Properties
Complexity:
1020  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
753.229g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
754.164g/mol
Monoisotopic Mass:
753.229g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
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
Properties