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

CAS: 1137608-69-5 Cat. No.: L126442 Formule: C₃₆H₃₅ClF₃N₇O₆ Poids moléculaire: 754.17 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Tryptophan 5-hydroxylase inhibitor

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 504770039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770039
• Sourires canoniques: 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
• Isomères 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
• Poids moléculaire: 754.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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
• Description: 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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO
• Sensibilité: Light sensitive；Moisture sensitive
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1137608-69-5, the molecular formula is C36H35ClF3N7O6, and the molecular weight is 754.17 g/mol. InChIKey XSFPZBUIBYMVEA-CELUQASASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.