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LP-533401

CAT: 0013-GTR19203626-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203626-03Size:25 mg
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Description
LP-533401 is a selective Tryptophan Hydroxylase 1 (TPH1) inhibitor used in research to modulate peripheral serotonin biosynthesis. It is applied in both in vitro and in vivo studies investigating gastrointestinal functions, metabolism, and disorders related to gut-derived serotonin signaling.
CAS Number
945976-43-2
Field of Research
Metabolism Research
Smiles
N[C@@H] (Cc1ccc (cc1) -c1cc (OC (c2ccc (cc2) -c2cccc (F) c2) C (F) (F) F) nc (N) n1) C (O) =O
Molecular Formula
C27H22F4N4O3
Molecular Weight
526.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LP533401

Serotonin Agents; Tryptophan Hydroxylase inhibitor; structure in first source

CAS Number945976-43-2
PubChem CID44560455
IUPAC Name(2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
Molecular FormulaC27H22F4N4O3
Molecular Weight526.5
XLogP2.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity759
SMILES
C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N
InChI
InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24?/m0/s1
InChIKey
JZWUKILTKYJLCN-XEGCMXMBSA-N
Chemical Structure
2D Structure
2D structure of LP533401
CAS: 945976-43-2
CID: 44560455
Formula: C27H22F4N4O3
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass526.16280322
Monoisotopic Mass526.16280322
Topological Polar Surface Area124 Ų
Heavy Atom Count38
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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