Treprostinil sodium - 10mM in DMSO , CAS No.289480-64-4

CAS: 289480-64-4 Cat. No.: T423015 Formula: C₂₃H₃₃NaO₅ Peso molecolare: 412.49 Numero EC: 695-793-9 PubChem CID: 23663413

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

SCHEMBL61996 | Trepulmix (TN) | Viveta | Treprostinil monosodium salt | AKOS030524396 | BW-15AU | sodium 2-(((1R,2R,3aS,9aS)-2-hydroxy-1-((S)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl)oxy)acetate | N-Phenyl-.beta.-amino-napht

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

Treprostinil sodium Treprostinil sodium (UT-15, Remodulin, Orenitram, Tyvaso, Trevyent) is a potent agonist of DP1 , EP2 and IP receptors with Ki 4.4 nM, 3.6 nM and 32 nM, respectively.

Targets

EP2 (Cell-free assay); DP1 (Cell-free assay); IP (Cell-free assay) 3.6 nM(Ki); 4.4 nM(Ki); 32 nM(Ki)

Specifiche

Sinonimi

SCHEMBL61996 | Trepulmix (TN) | Viveta | Treprostinil monosodium salt | AKOS030524396 | BW-15AU | sodium 2-(((1R,2R,3aS,9aS)-2-hydroxy-1-((S)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl)oxy)acetate | N-Phenyl-.beta.-amino-napht

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Treprostinil sodium (UT-15, Remodulin, Orenitram, Tyvaso, Trevyent) is a potent agonist of DP1, EP2 and IP receptors with Ki 4.4 nM, 3.6 nM and 32 nM, respectively.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

4.526

Conteggio HBD

2

Legame rotabile

11

Nomi e identificatori

Pubchem Sid

528772033

Sorrisi canonici

CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)[O-])O)O.[Na+]

IUPAC Name

sodium;2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetate

InChIKey

IQKAWAUTOKVMLE-ZSESPEEFSA-M

INCHI

1S/C23H34O5.Na/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);/q;+1/p-1/t16-,17-,18+,19-,21+;/m0./s1

Isomeri SMILES

CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)[O-])O)O.[Na+]

PubChem CID

23663413

Peso molecolare

412.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Tetralins Alkyl aryl ethers Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenoxyacetate - Tetralin - Alkyl aryl ether - Cyclic alcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• External Descriptors: organic sodium salt

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

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 82
• DMSO (mM) Solubilità massima: 198.7926980048
• Acqua (mg/mL) Solubilità massima: 82
• Acqua (mM) Solubilità massima: 198.7926980048
• Peso molecolare: 412.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 412.223 Da
• Monoisotopic Mass: 412.223 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 502.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3