MA 2029 - ≥98%(HPLC) , CAS No.287206-61-5

CAS: 287206-61-5 Cat. No.: M287570 Summenformel: C₃₁H₄₅FN₄O₄ Molekulargewicht: 556.71 PubChem CID: 10144175

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-Fluor-N-methyl-L-phenylalanyl-N-methyl-L-valyl-3-(1,1-dimethylethyl)-N-ethyl-L-tyrosinamid

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

4-Fluor-N-methyl-L-phenylalanyl-N-methyl-L-valyl-3-(1,1-dimethylethyl)-N-ethyl-L-tyrosinamid

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potenter und selektiver, kompetitiver Motilin-Rezeptor-Antagonist (IC50= 4,9 nM). Selektiv für den Motilin-Rezeptor gegenüber einer Reihe von anderen Rezeptoren und Ionenkanälen. Hemmt Motilin-induzierte Duodenalmuskelkontraktionen in vitro. Hemmt auch di

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Aktionsart

ANTAGONIST

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: CCNC(=O)C(CC1=CC(=C(C=C1)O)C(C)(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=C(C=C2)F)NC
• IUPAC Name: (2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide
• InChIKey: KSDWAJPUTRBIRR-KLJDGLGGSA-N
• INCHI: 1S/C31H45FN4O4/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39)/t24-,25-,27-/m0/s1
• Isomere SMILES: CCNC(=O)[C@H](CC1=CC(=C(C=C1)O)C(C)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=C(C=C2)F)NC
• PubChem CID: 10144175
• Molekulargewicht: 556.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Fluorobenzenes Aryl fluorides N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Aralkylamine - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - N-acyl-amine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:1eq. HCl, Max Conc. mg/mL: 11.13, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 55.67, Max Conc. mM: 100
• Molekulargewicht: 556.700 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 556.342 Da
• Monoisotopic Mass: 556.342 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 825.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 287206-61-5, the molecular formula is C31H45FN4O4, and the molecular weight is 556.71 g/mol. InChIKey KSDWAJPUTRBIRR-KLJDGLGGSA-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.