Bimatoprost amide - ≥98% , CAS No.155205-89-3

CAS: 155205-89-3 Cat. No.: B355681 Peso molecular: 387.51 PubChem CID: 5283106

GRADE & PURITY ≥98%

Synonyms

SR-01000946516 | 17-phenyl trinor Prostaglandin F2?? amide | CHEBI:169171 | 17-phenyl-trinor-PGF2alpha amide | AKOS040756127 | SCHEMBL20614053 | Bimatoprost amide | DTXSID701110291 | 9S,11R,15S-trihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienamide |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Bimatoprost amide is an F-series prostaglandin (PG) analog in which the C-1 carboxyl group has been modified to an unsubstituted amide. This and other PG N-ethyl amides are being researched as alternative PG hypotensive prodrugs. Bimatoprost amide would be expected to show the typical intraocular effects of latanoprost with the much slower hydrolysis pharmacokinetics of a PG N-amide.

Specifications

Sinónimos

SR-01000946516 | 17-phenyl trinor Prostaglandin F2?? amide | CHEBI:169171 | 17-phenyl-trinor-PGF2alpha amide | AKOS040756127 | SCHEMBL20614053 | Bimatoprost amide | DTXSID701110291 | 9S, 11R, 15S-trihydroxy-17-phenyl-18, 19, 20-trinor-5Z, 13E-prostadienamide |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763454
• Sonrisas canónicas: C1C(C(C(C1O)C=CC(CCC2=CC=CC=C2)O)CC=CCCCC(=O)N)O
• IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
• InChIKey: RAGQWYIPCPFTJC-KDACTHKWSA-N
• INCHI: 1S/C23H33NO4/c24-23(28)11-7-2-1-6-10-19-20(22(27)16-21(19)26)15-14-18(25)13-12-17-8-4-3-5-9-17/h1,3-6,8-9,14-15,18-22,25-27H,2,7,10-13,16H2,(H2,24,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
• Isómeros SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=CC=C2)O)C/C=C\CCCC(=O)N)O
• PubChem CID: 5283106
• Peso molecular: 387.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Fatty amides Cyclopentanols Benzene and substituted derivatives Primary carboxylic acid amides Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Monocyclic benzene moiety - Cyclopentanol - Benzenoid - Fatty amide - Cyclic alcohol - Carboxamide group - Secondary alcohol - Primary carboxylic acid amide - Carboxylic acid derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
• External Descriptors: Prostaglandins

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

Propiedades químicas y físicas

• Punto de ebullición (°C): 78° C
• Peso molecular: 387.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 387.241 Da
• Monoisotopic Mass: 387.241 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 513.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1