(+)-5-trans-Cloprostenol - ≥98% , CAS No.57968-81-7

CAS: 57968-81-7 Cat. No.: C276040 Molecular Weight: 424.9 EC Number: 832-856-3

GRADE & PURITY ≥98%

Synonyms

HMS3749A13 | (+)-5-trans Cloprostenol | 15S-Cloprostenol pound>>(+)-15-Epi-Cloprostenol | SCHEMBL14913507 | D-Cloprostenol | FT-0665132 | 7-{2-[4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoic acid | FT-0773558 | BCP18137

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

HMS3749A13 | (+)-5-trans Cloprostenol | 15S-Cloprostenol pound>>(+)-15-Epi-Cloprostenol | SCHEMBL14913507 | D-Cloprostenol | FT-0665132 | 7-{2-[4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3, 5-dihydroxycyclopentyl}hept-5-enoic acid | FT-0773558 | BCP18137

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Synthetic prostaglandin F 2α derivative. Minor impurity produced in the synthesis of (+)-cloprostenol. Luteolytic agent for the induction of estrus in animal models. The (+)-5-trans isomer is less active than the 5-cis form in terminating pregnancy in the

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O
• IUPAC Name: 7-[2-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
• InChIKey: VJGGHXVGBSZVMZ-UHFFFAOYSA-N
• INCHI: 1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)
• Isomeric SMILES: C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O
• Molecular Weight: 424.9
• Reaxy-Rn: 30778793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30778793&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Long-chain fatty acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Hydroxy fatty acids Halogenated fatty acids Chlorobenzenes Unsaturated fatty acids Aryl chlorides Cyclopentanols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Halogenated fatty acid - Hydroxy fatty acid - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocyclic benzene moiety - Cyclopentanol - Aryl chloride - Aryl halide - Cyclic alcohol - Secondary alcohol - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxide - 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: 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 424.900 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 424.165 Da
• Monoisotopic Mass: 424.165 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 551.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 2
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1