(±)-Cloprostenol sodium salt - ≥97% , CAS No.55028-72-3

CAS: 55028-72-3 Cat. No.: C287812 Molecular Weight: 446.9 EC Number: 259-439-3 PubChem CID: 17756794

GRADE & PURITY ≥97%

Synonyms

(+/-)-SODIUM (Z)-7-((1R*,2R*,3R*,5S*)-2-((E)-(3R*)-4-(M-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-5-HEPTENOATE | Sodium, Cloprostenol | D-Cloprostenol sodium | Estrumate | Sodium(Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-chlorophenoxy)-3-hydro

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Cloprostenol is a synthetic analogue of prostaglandin F2α (PGF). Cloprostenol contributes to the induction of estrus in animals and has uterotonic activity. Cloprostenol induces abortion in animals.

Product Application:

(+/-)-Cloprostenol sodium salt hydrate has been used in studying its influence in oestrus synchronisation and uterine development in mice.

Specifications

Synonyms

(+/-)-SODIUM (Z)-7-((1R*, 2R*, 3R*, 5S*)-2-((E)-(3R*)-4-(M-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3, 5-DIHYDROXYCYCLOPENTYL)-5-HEPTENOATE | Sodium, Cloprostenol | D-Cloprostenol sodium | Estrumate | Sodium(Z)-7-((1R, 2R, 3R, 5S)-2-((R, E)-4-(3-chlorophenoxy)-3-hydro

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Water-soluble prostaglandin F2α(PGF2α) analog; acts as a potent FP receptor agonist (EC50= 0.84 nM). Potently inhibits differentiation of adipocyte precursor cells. Luteolytic agentin vivo. Cloprostenol is a potent FP prostanoid receptor agonist. It is 2-

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.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]
• IUPAC Name: sodium;(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
• InChIKey: IFEJLMHZNQJGQU-KXXGZHCCSA-M
• INCHI: 1S/C22H29ClO6.Na/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);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
• Isomeric SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)[O-])O.[Na+]
• PubChem CID: 17756794
• Molecular Weight: 446.9

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 Chlorobenzenes Hydroxy fatty acids Unsaturated fatty acids Cyclopentanols Aryl chlorides Cyclic alcohols and derivatives Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Hydroxy fatty acid - Chlorobenzene - Cyclopentanol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acid - Benzenoid - Unsaturated fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid salt - Organic metal halide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic alkali metal salt - Ether - Carboxylic acid - Alcohol - Organohalogen compound - Organochloride - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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: 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

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

Discover Target: KPNB1

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Cruzipain (33337 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 8.94, Max Conc. mM: 20
• Sensitivity: Moisture sensitive.
• Molecular Weight: 446.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 446.147 Da
• Monoisotopic Mass: 446.147 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 558.000
• 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: 2

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