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Telotristat Etiprate

CAT: 0013-GTR19171797-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171797-01Size:2 mg
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Description
Telotristat Etiprate
CAS Number
1137608-69-5
Product Name Alternative
Inhibitor, Hippurate, inhibit, LX 1606, LX 1606 Hippurate, LX1606, LX-1606, LX1606 (Hippurate), Tryptophan hydroxylase, Tryptophan Hydroxylase, Telotristat Etiprate
Field of Research
Metabolism Research
Purity
99.21% (May vary between batches)
Solubility
Ethanol:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:10 mg/mL (13.26 mM) ; DMSO:100 mg/mL (132.6 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
OC (=O) CNC (=O) c1ccccc1.CCOC (=O) [C@@H] (N) Cc1ccc (cc1) -c1cc (O[C@H] (c2ccc (Cl) cc2-n2ccc (C) n2) C (F) (F) F) nc (N) n1
Molecular Formula
C27H26ClF3N6O3·C9H9NO3
Molecular Weight
754.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Telotristat Etiprate

Telotristat Etiprate is an orally bioavailable, small-molecule, tryptophan hydroxylase (TPH) inhibitor prodrug, with potential antiserotonergic activity. Upon administration, telotristat etiprate is converted to its active moiety, telotristat (LP-778902), which binds to and blocks the activity of TPH. This may result in a reduction in peripheral serotonin (5-HT) production and improvement of serotonin-mediated gastrointestinal effects such as severe diarrhea. TPH, the rate-limiting enzyme in serotonin biosynthesis, is overexpressed in carcinoid tumor cells.

CAS Number1137608-69-5
PubChem CID25253377
IUPAC Name2-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
Molecular FormulaC36H35ClF3N7O6
Molecular Weight754.2
Topological Polar Surface Area198
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count53
Formal Charge0
Complexity1020
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N.C1=CC=C(C=C1)C(=O)NCC(=O)O
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
InChIKey
XSFPZBUIBYMVEA-CELUQASASA-N
Chemical Structure
2D Structure
2D structure of Telotristat Etiprate
CAS: 1137608-69-5
CID: 25253377
Formula: C36H35ClF3N7O6
MW: 754.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass753.2289440
Monoisotopic Mass753.2289440
Topological Polar Surface Area198 Ų
Heavy Atom Count53
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M10482-01Telotristat etiprate
C16679-01Telotristat Etiprate (LX 1606 Hippurate)
A10542-25Telotristat etiprate (LX 1606 Hippurate) 25mg
A10542-2Telotristat etiprate (LX 1606 Hippurate) 2mg
A10542-500Telotristat etiprate (LX 1606 Hippurate) 500mg
B3247-5Telotristat

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