Unoprostone isopropyl ester - Moligand™, ≥95%, 10 mg/mL in methyl acetate , CAS No.120373-24-2

CAS: 120373-24-2 Cat. No.: U341844 Formule: C₂₅H₄₄O₅ Poids moléculaire: 424.6 PubChem CID: 5282175

GRADE & PURITY Moligand™, ≥95%, 10 mg/mL in methyl acetate

Synonyms

DTXCID6028997 | Unoprostone isopropyl ester | 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-, 1-methylethyl ester, (5Z)- | Isopropyl unoprostone (JAN) | propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopenty

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Unoprostone isopropyl ester is a free acid analog of prostoglandin F|2α|, the prodrug form of unoprostone . Both analogs are believed to act by increasing the rate of aqueous humor outflow through

Specifications

Synonymes

DTXCID6028997 | Unoprostone isopropyl ester | 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-, 1-methylethyl ester, (5Z)- | Isopropyl unoprostone (JAN) | propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopenty

Spécifications et pureté

Moligand™, ≥95%, 10 mg/mL in methyl acetate

Conditions de stockage de stockage

Store at -20°C

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.

Grade

Moligand™

Note

Packaging quality refers to the amount of solute

Pureté

≥95%

Propriétés du produit

ALogP

4.9

Noms et identifiants

Pubchem Sid

504763407

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763407

Sourires canoniques

CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O

IUPAC Name

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate

InChIKey

XXUPXHKCPIKWLR-JHUOEJJVSA-N

INCHI

1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1

Isomères SMILES

CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O

PubChem CID

5282175

Poids moléculaire

424.6

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 acid esters Cyclopentanols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Fatty acid ester - Cyclopentanol - Cyclic alcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Carbonyl group - Aliphatic 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: carboxylic ester - prostaglandins Falpha - ketone

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

Cibles associées (humaines)

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

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AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

Discover Target: PDE3A

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

Discover Target: ADRA2C

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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MC3R Tchem Melanocortin receptor 3 (5659 Activities)

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SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLCO1A2 Tchem Solute carrier organic anion transporter family member 1A2 (104 Activities)

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SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

Discover Target: SLCO2B1

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SLCO4A1 Tbio Solute carrier organic anion transporter family member 4A1 (14 Activities)

Discover Target: SLCO4A1

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SLCO3A1 Tbio Solute carrier organic anion transporter family member 3A1 (19 Activities)

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Cibles associées (non humaines)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMF: 25 mg/ml,DMSO: 17 mg/ml,Ethanol: 17 mg/ml
• Point d'ébullition (°C): 57° C
• Poids moléculaire: 424.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 424.319 Da
• Monoisotopic Mass: 424.319 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 514.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 120373-24-2, the molecular formula is C25H44O5, and the molecular weight is 424.6 g/mol. InChIKey XXUPXHKCPIKWLR-JHUOEJJVSA-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.