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3β-Hydroxy-5β-bufa-14,20,22-trienolide is a complex steroidal lactone compound derived from bufadienolides, a class of natural products found in certain plants and amphibians. This specific chemical is characterized by the presence of a hydroxyl group at the 3β position, a double bond at the 5β position, and three additional double bonds at the 14, 20, and 22 positions. It exhibits a unique molecular structure that contributes to its biological properties and potential applications in medicine and pharmacology. The compound has been studied for its cytotoxic effects, particularly against cancer cells, and may have implications in the development of novel therapeutic agents. However, due to its complex structure and potential toxicity, further research is needed to fully understand its mechanisms of action and safety profile.

7439-77-2

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7439-77-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7439-77-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,4,3 and 9 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 7439-77:
(6*7)+(5*4)+(4*3)+(3*9)+(2*7)+(1*7)=122
122 % 10 = 2
So 7439-77-2 is a valid CAS Registry Number.
InChI:InChI=1/C24H32O3/c1-23-11-9-17(25)13-16(23)4-5-18-20-7-6-19(15-3-8-22(26)27-14-15)24(20,2)12-10-21(18)23/h3,7-8,14,16-19,21,25H,4-6,9-13H2,1-2H3

7439-77-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 14-Anhydrobufalin

1.2 Other means of identification

Product number -
Other names 14-Dehydrobufalin

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:7439-77-2 SDS

7439-77-2Upstream product

7439-77-2Relevant academic research and scientific papers

Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans

Tian, Hai-Yan,Ruan, Li-Jun,Yu, Tong,Zheng, Qing-Fei,Chen, Nan-Hao,Wu, Rui-Bo,Zhang, Xiao-Qi,Wang, Lei,Jiang, Ren-Wang,Ye, Wen-Cai

supporting information, p. 1182 - 1186 (2017/05/05)

Bufospirostenin A (1) and bufogargarizin C (2), two novel steroids with rearranged A/B rings, were isolated from the toad Bufo bufo gargarizans. Compound 1 represents the first spirostanol found in animals. Compound 2 is an unusual bufadienolide with a cycloheptatriene B ring. Their structures were elucidated by spectroscopic analysis, single crystal X-ray diffraction analysis, and computational calculations.

A bufadienolide derived androgen receptor antagonist with inhibitory activities against prostate cancer cells

Tian, Hai-Yan,Yuan, Xiao-Feng,Jin, Lu,Li, Juan,Luo, Cheng,Ye, Wen-Cai,Jiang, Ren-Wang

, p. 16 - 22 (2014/01/06)

Molecular docking studies have shown that Δ8,14- anhydrobufalin (1) exhibited more potent binding affinity on androgen receptor (AR) than Δ14,15-anhydrobufalin (2) and bufalin (3). To validate the docking results, compounds 1 and 2 were synthesized. The AR competitive binding assay indicated that the IC50 values of 1-3 were 1.9, >50 and >50 μM (relative binding affinity), respectively, which confirmed that our theoretical binding mode was reliable and predictable. Furthermore, compound 1 was found to show more potent inhibitory activity against the androgen dependent LNCaP cancer cells than the androgen independent PC3 cancer cells, but exhibited less inhibition on the Na+/K + ATPase as compared with the parent compound 3. To the best of our knowledge, compound 1 represented the first AR antagonist derived from bufadienolide discovered through a series of combined approaches of molecular docking and actual experimental validation.

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