LX1606 - ≥99% , Tryptophan 5-hydroxylase inhibitor, CAS No.1137608-69-5, Tryptophan 5-hydroxylase inhibitor

CAS: 1137608-69-5 Cat. No.: L126442 Peso molecular: 754.17 Número EC: 812-364-5 PubChem CID: 25253377

GRADE & PURITY ≥99%

Synonyms

AMY38702 | EX-A1619 | 2-benzamidoacetic acid, ((S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-1-ethoxy-1-oxopropan-2-yl)amide salt | Spectrum5_000434 | LX 1606 Hippurate | s2173 | BBL0

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AMY38702 | EX-A1619 | 2-benzamidoacetic acid, ((S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2, 2, 2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-1-ethoxy-1-oxopropan-2-yl)amide salt | Spectrum5_000434 | LX 1606 Hippurate | s2173 | BBL0

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

LX1606 (LX 1606, LX-1606) is an orally bioavailable, small-molecule, tryptophan hydroxylase (TPH) inhibitor with potential antiserotonergic activity. LX1606 (LX 1606, LX-1606) is useful for Neurological Diseas.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Tryptophan 5-hydroxylase inhibitor

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504770039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770039
• Sonrisas canónicas: CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(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
• 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
• InChIKey: XSFPZBUIBYMVEA-CELUQASASA-N
• 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
• Isómeros 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
• PubChem CID: 25253377
• Peso molecular: 754.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters Hippuric acids N-acyl-alpha amino acids Phenylpyrimidines Phenylpyrazoles Amphetamines and derivatives Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes Fatty acid esters Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Not available
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Hippuric acid or derivatives - 4-phenylpyrimidine - Phenylpyrazole - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Aminopyrimidine - Aralkylamine - Alkyl aryl ether - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Carbonyl group - Primary amine - Alkyl halide - Organochloride - Organohalogen compound - Alkyl fluoride - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Sensibilidad: Light sensitive；Moisture sensitive
• Peso molecular: 754.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 13
• Exact Mass: 753.229 Da
• Monoisotopic Mass: 753.229 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1020.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3