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

CAS: 155205-89-3 Cat. No.: B355681 Formule: C₂₃H₃₃NO₄ Poids moléculaire: 387.51 PubChem CID: 5283106

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C,Argon charged

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.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504763454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763454

Sourires canoniques

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

Isomères 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

Poids moléculaire

387.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 78° C
• Poids moléculaire: 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