17-β-ESTRADIOL 3,17-DIPROPIONATE - 10mM in DMSO , CAS No.113-38-2

CAS: 113-38-2 Cat. No.: E420679 Formula: C₂₄H₃₂O₄ Peso molecolare: 384.52 Numero EC: 204-026-5

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 3,17-dipropionate | Agofollin | CHEBI:31560 | (17beta)-estra-1(10),2,4-triene-3,17-diyl dipropanoate | 1,3,5(10)-Estratriene-3,17.beta.-diol dipropionate | CCRIS 282 | Estradiol diproppionate | NCGC00159328-02 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 3,17-dipropionate | Agofollin | CHEBI:31560 | (17beta)-estra-1(10),2,4-triene-3,17-diyl dipropanoate | 1,3,5(10)-Estratriene-3,17.beta.-diol dipropionate | CCRIS 282 | Estradiol diproppionate | NCGC00159328-02 |

Specifiche e purezza

10mM in DMSO

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.

Tipo di azione

AGONIST

Nomi e identificatori

Pubchem Sid

528769562

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769562

Sorrisi canonici

CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CC)C

IUPAC Name

[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate

InChIKey

JQIYNMYZKRGDFK-RUFWAXPRSA-N

INCHI

1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1

Isomeri SMILES

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C

Peso molecolare

384.52

Reaxy-Rn

2065270

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2065270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Estrane steroids Phenanthrenes and derivatives Tetralins Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Steroid ester - Estrane-skeleton - Phenanthrene - Tetralin - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• External Descriptors: C18 steroids (estrogens) and derivatives

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

Obiettivi associati (umani)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.577
• Rotazione specifica [α]: 40° (C=1,dioxane)
• Punto di infiammabilità (°C): 238.5ºC
• Punto di ebollizione (°C): 487.8ºC at 760mmHg
• Punto di fusione (°C): 107 °C
• Peso molecolare: 384.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 384.23 Da
• Monoisotopic Mass: 384.23 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 601.000
• 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: 1