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LX-1031

CAT: 0013-GTR19174330-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174330-01Size:1 mg
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Description
LX-1031 is a potent and selective small molecule inhibitor of tryptophan 5-hydroxylase (TPH), effectively reducing peripheral serotonin biosynthesis. This tool compound is utilized in preclinical research to investigate the role of peripheral 5-HT in conditions like irritable bowel syndrome (IBS) and inflammatory disorders, in both cellular and animal models.
CAS Number
945976-76-1
Product Name Alternative
Inhibitor, LPAReceptor, LPA Receptor, inhibit, LX 1031, LX1031, LX-1031, Tryptophan hydroxylase, Tryptophan Hydroxylase
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.12% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.71 mM) ; DMSO:30 mg/mL (55.71 mM)
Smiles
COc1cccc (c1) -c1ccc (cc1) [C@@H] (Oc1cc (nc (N) n1) -c1ccc (C[C@H] (N) C (O) =O) cc1) C (F) (F) F
Molecular Formula
C28H25F3N4O4
Molecular Weight
538.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LX-1031

LX1031 is an orally-dosed drug candidate for irritable bowel syndrome and other gastrointestinal disorders. LX1031 was generated by Lexicon medicinal chemists, and its target was internally identified as a key control point for the regulation of peripheral serotonin levels. LX1031 is designed to act locally in the gastrointestinal tract by reducing the serotonin available for receptor activation, without affecting serotonin levels in the brain or its central nervous system functions.

CAS Number945976-76-1
PubChem CID23633604
IUPAC Name(2S)-2-amino-3-[4-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
Molecular FormulaC28H25F3N4O4
Molecular Weight538.5
XLogP2.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity774
SMILES
COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@H](C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N
InChI
InChI=1S/C28H25F3N4O4/c1-38-21-4-2-3-20(14-21)17-9-11-19(12-10-17)25(28(29,30)31)39-24-15-23(34-27(33)35-24)18-7-5-16(6-8-18)13-22(32)26(36)37/h2-12,14-15,22,25H,13,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25+/m0/s1
InChIKey
XNMUICFMGGQSMZ-WIOPSUGQSA-N
Chemical Structure
2D Structure
2D structure of LX-1031
CAS: 945976-76-1
CID: 23633604
Formula: C28H25F3N4O4
MW: 538.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass538.18278978
Monoisotopic Mass538.18278978
Topological Polar Surface Area134 Ų
Heavy Atom Count39
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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M16780-01LX-1031
A11479-2LX-1031 2mg
A11479-50LX-1031 50mg
A11479-5LX-1031 5mg
A11479-1LX-1031 1mg
A11479-100LX-1031 100mg
A11479-25LX-1031 25mg
A11479-10LX-1031 10mg
A11479-10mM-DLX-1031 10mM * 1mL in DMSO
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