Travaprost - Moligand™, ≥98%(HPLC) , Prostanoid FP receptor agonist, CAS No.157283-68-6, Prostanoid FP receptor agonist

CAS: 157283-68-6 Cat. No.: T287702 Molecular Weight: 500.55 EC Number: 682-028-9 PubChem CID: 5282226

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

CCG-269692 | s3738 | Travatan (TN) | Travoprost | TRAVOPROST [JAN] | Travoprost [USAN] | DTXCID401326382 | Travoprost [USAN:USP:INN:BAN] | AKOS024458039 | AL-6221 | TRAVOPROST COMPONENT OF DUOTRAV | Fluprostenol isopropyl ester;AL6221;Flu-Ipr | Izba | pro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

CCG-269692 | s3738 | Travatan (TN) | Travoprost | TRAVOPROST [JAN] | Travoprost [USAN] | DTXCID401326382 | Travoprost [USAN:USP:INN:BAN] | AKOS024458039 | AL-6221 | TRAVOPROST COMPONENT OF DUOTRAV | Fluprostenol isopropyl ester;AL6221;Flu-Ipr | Izba | pro

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

FP prostaglandin receptor agonist. Exhibits submicromolar affinity for DP, EP, IP and TP receptors. Stimulates intracellular Ca2+mobilization. Ocular hypotensive agent.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Prostanoid FP receptor agonist

Purity

≥98%(HPLC)

Product Properties

• ALogP: 4.1

Names and Identifiers

• Pubchem Sid: 488195254
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195254
• Canonical Smiles: CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
• IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
• InChIKey: MKPLKVHSHYCHOC-AHTXBMBWSA-N
• INCHI: 1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1
• Isomeric SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O
• PubChem CID: 5282226
• Molecular Weight: 500.55

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: Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Fatty acid esters Alkyl aryl ethers Cyclopentanols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Cyclopentanol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Alkyl halide - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - 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: carboxylic ester - prostaglandins Falpha - (trifluoromethyl)benzenes

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)

CETP Tchem Cholesteryl ester transfer protein (2422 Activities)

Discover Target: CETP

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (supplied pre-dissolved in anhydrous ethanol, 10(mg/mL))
• Molecular Weight: 500.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 500.239 Da
• Monoisotopic Mass: 500.239 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 693.000
• 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