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(2E)-3-[1-(4-acetylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-phenylprop-2-enamide is a complex organic compound with a molecular formula of C23H20N2O2. It is characterized by a pyrrole ring, which is substituted with a 4-acetylphenyl group at position 1, and a 2,5-dimethyl group. The molecule also features a cyano group and a phenyl group attached to a prop-2-enamide moiety, which is in the E configuration. (2E)-3-[1-(4-acetylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-phenylprop-2-enamide is likely to be found in the field of organic chemistry, potentially as a synthetic intermediate or a compound with specific biological activity, given its intricate structure.

5874-17-9

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5874-17-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5874-17-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,7 and 4 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5874-17:
(6*5)+(5*8)+(4*7)+(3*4)+(2*1)+(1*7)=119
119 % 10 = 9
So 5874-17-9 is a valid CAS Registry Number.

5874-17-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name (25R)-3β-acetoxy-5-hydroxy-5α-spirostan-6-one

1.2 Other means of identification

Product number -
Other names (25R)-spirost-3β,5α-dihydroxy-6-one-3-acetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5874-17-9 SDS

5874-17-9Relevant academic research and scientific papers

Synthesis of diosgenin derivatives by A and B ring modifications and low-valent titanium (Ti0)-catalysed McMurry coupling reactions and designing to create novel biological agents

Ilkar Erdagi, Sevinc,Yildiz, Ufuk

, (2022/02/07)

Diosgenin is a steroidal sapogenin ((25R)-spirost-5-en-3β-ol) occurs abundantly in therapeutic herbs such as Dioscorea alata, Smilax China, and Trigonella foenum graecum. It demonstrates a wide range of pharmacological activities and medicinal properties in a large of experimental and theoretical studies. It also constitutes an important class of compounds for new drug development. In the current study, diosgenin derivatives were synthesized and designed, aiming to discover new steroid-based biological agents. In this work, new diosgenin derivatives were synthesized through low-valent titanium (Ti0)-catalyzed McMurry coupling reaction and structural modifications to the A- and B- rings in the diosgenin. McMurry reaction gave the A-nor and B-nor derivatives in by the intramolecular reductive dimerization of carbonyl compounds in the presence of low-valent titanium agents, in moderate yields (46–47%). The modification reactions on the A and B rings of diosgenin were accomplished by using efficient reagents to give three different series, in moderate to high yields (55–97%). The structures of all novel derivatives were confirmed by FTIR, 1H NMR, 13C NMR, and HRMS methods.

In vitro neuroprotective and anti-inflammatory activities of natural and semi-synthetic spirosteroid analogues

García-Pupo, Laura,Zaldo-Castro, Armando,Exarchou, Vassiliki,Tacoronte-Morales, Juan Enrique,Pieters, Luc,Berghe, Wim Vanden,Nu?ez-Figueredo, Yanier,Delgado-Hernández, René

, (2016/08/12)

Two spirosteroid analogues were synthesized and evaluated for their in vitro neuroprotective activities in PC12 cells, against glutamate-induced excitotoxicity and mitochondrial damage in glucose deprivation conditions, as well as their anti-inflammatory potential in LPS/IFNγ-stimulated microglia primary cultures. We also evaluated the in vitro anti-excitotoxic and anti-inflammatory activities of natural and endogenous steroids. Our results show that the plant-derived steroid solasodine decreased PC12 glutamate-induced excitotoxicity, but not the cell death induced by mitochondrial damage and glucose deprivation. Among the two synthetic spirosteroid analogues, only the (25R)-5α-spirostan-3,6-one (S15) protected PC12 against ischemia-related in vitro models and inhibited NO production, as well as the release of IL-1β by stimulated primary microglia. These findings provide further insights into the role of specific modifications of the A and B rings of sapogenins for their neuroprotective potential.

A rapid and simple one-pot procedure for the synthesis of 3β-acetoxy-5α-hydroxy-6-oxo steroids

Rosado-Abon, Anielka,Romero-Avila, Margarita,Iglesias-Arteaga, Martin A.

experimental part, p. 110 - 115 (2011/01/12)

A fast one-pot procedure for the synthesis of 5α-hydroxy-6-oxo steroids is described. Epoxidation of 3β-hydoxy-Δ5 steroids followed by oxidative cleavage of the resulting epoxide with aqueous CrO3 lead to the desired compounds without affection of labile side chains. ARKAT USA, Inc.

Synthesis of peptidomimetic-spirostane hybrids via Ugi reaction: a versatile approach for the formation of peptide-steroid conjugates

Rivera, Daniel G.,Pando, Orlando,Coll, Francisco

, p. 8327 - 8334 (2007/10/03)

A general approach towards the preparation of peptide-steroid conjugates has been addressed. Utilizing the Ugi reaction, five peptidomimetic-steroid hybrids were achieved in good to excellent yields from carboxy- and amino-spirostanes and mono-protected α-amino acids. Diverse synthetic routes, specially focused on the formation of secosteroids, were implemented to introduce Ugi-type functionalities at different positions of the steroidal nucleus. This versatile approach is suitable for the formation of stable conjugates of steroids with other biologically relevant molecules.

Schmidt Reaction of 3β-Acetoxy-5α-hydroxy-22β-spirostan-6-one and Beckmann Rearrangement of Corresponding Ketoxime

Siddiqui, Abdul Hameed,Rajeshwar, K.,Baig, M. H.,Siddiqui, A. H. U.

, p. 276 - 277 (2007/10/02)

3β-Acetoxy-5α-hydroxy-22β-spirostan-6-one (2), obtainable from diosgenin acetate, undergoes second order Schmidt reaction to form 3β-acetoxy-5-oxo-22β-spirostan-7-nitrile (3); the same nitrile is also obtained by the Beckmann rearrangement of the ketoxime

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