15(S)-15-methyl Prostaglandin F2α - 10mM in DMSO , CAS No.35700-23-3

CAS: 35700-23-3 Cat. No.: S423606 Molecular Weight: 368.5

GRADE & PURITY 10mM in DMSO

Synonyms

15-methyl-pgf2.alpha. | Carboprostum [INN-Latin] | 15(S)-Methylprostaglandin F2-alpha | 15-methylprostaglandin f2.alpha. | CARBOPROST (MART.) | CARBOPROST [USAN] | DLJKPYFALUEJCK-IIELGFQLSA-N | 15-Methylprostaglandin F2alpha | HMS3648F18 | MS-25920 | 15(S

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

15(S)-15-methyl Prostaglandin F2α is a metabolically stable analog of PGF2α. It is a potent uterine stimulant and abortifacient which can be given intramuscularly to induce labor. It induces luteolysis and reduces serum progesterone concentrations when given as an intramuscular injection in non-pregnant rhesus monkeys.

Specifications

Synonyms

15-methyl-pgf2.alpha. | Carboprostum [INN-Latin] | 15(S)-Methylprostaglandin F2-alpha | 15-methylprostaglandin f2.alpha. | CARBOPROST (MART.) | CARBOPROST [USAN] | DLJKPYFALUEJCK-IIELGFQLSA-N | 15-Methylprostaglandin F2alpha | HMS3648F18 | MS-25920 | 15(S

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
• IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
• InChIKey: DLJKPYFALUEJCK-IIELGFQLSA-N
• INCHI: 1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
• Isomeric SMILES: CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
• Molecular Weight: 368.5
• Reaxy-Rn: 2949991
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2949991&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 Hydroxy fatty acids Branched fatty acids Unsaturated fatty acids Cyclopentanols Tertiary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - Branched fatty acid - Hydroxy fatty acid - Cyclopentanol - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - 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: 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

Chemical and Physical Properties

• Molecular Weight: 368.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 368.256 Da
• Monoisotopic Mass: 368.256 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 473.000
• 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