Desacetylcinobufagin is a bioactive compound derived from the traditional Chinese medicine component, cinobufagin. It is known for its isoform-specific probe reactions for UGT1A4 and UGT1A3, which are important enzymes involved in the metabolism of various drugs and toxins. Desacetylcinobufagin also exhibits cytotoxicity against human hepatoma cells (HepG2) and human leukemia cells (K562, HL-60), making it a potential candidate for therapeutic applications in cancer treatment.
4026-95-3
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Basic information
- Product Name: Desacetylcinobufagin
- Synonyms: Desacetylcinobufagin;3β,16β-Dihydroxy-14,15β-epoxy-5β-bufa-20,22-dienolide;Deacetylcinobufagin;Deacetylcinobufagine
- CAS NO:4026-95-3
- Molecular Formula: C24H32O5
- Molecular Weight: 400.5079
- EINECS: N/A
- Product Categories: Steroids
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Chemical Properties
- Melting Point: 278-280℃
- Boiling Point: 601.9°Cat760mmHg
- Flash Point: 208.1°C
- Appearance: /
- Density: 1.31±0.1 g/cm3 (20 ºC 760 Torr)
- Vapor Pressure: 5.35E-17mmHg at 25°C
- Refractive Index: 1.618
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 14.31±0.70(Predicted)
- CAS DataBase Reference: Desacetylcinobufagin(CAS DataBase Reference)
- NIST Chemistry Reference: Desacetylcinobufagin(4026-95-3)
- EPA Substance Registry System: Desacetylcinobufagin(4026-95-3)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 4026-95-3(Hazardous Substances Data)
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4026-95-3 Usage
Uses
Used in Pharmaceutical Industry:Desacetylcinobufagin is used as a research tool for studying the isoform-specific probe reactions of UGT1A4 and UGT1A3 enzymes. Understanding these reactions can help in the development of new drugs and therapies targeting these enzymes.
Used in Cancer Research and Treatment:
Desacetylcinobufagin is used as a cytotoxic agent against human hepatoma cells (HepG2) and human leukemia cells (K562, HL-60). Its cytotoxic properties make it a potential candidate for the development of novel cancer treatments, particularly for liver and leukemia cancers.
Used in Drug Metabolism Studies:
As a probe for UGT1A4 and UGT1A3 enzymes, Desacetylcinobufagin is used in drug metabolism research to understand the role of these enzymes in the metabolism of various drugs and toxins. This knowledge can be applied to improve drug design and reduce adverse drug reactions.
Check Digit Verification of cas no
The CAS Registry Mumber 4026-95-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,2 and 6 respectively; the second part has 2 digits, 9 and 5 respectively.Calculate Digit Verification of CAS Registry Number 4026-95:
(6*4)+(5*0)+(4*2)+(3*6)+(2*9)+(1*5)=73
73 % 10 = 3
So 4026-95-3 is a valid CAS Registry Number.
InChI:InChI=1/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16?,17?,19+,20-,21-,22+,23-,24-/m1/s1
4026-95-3Upstream product
4026-95-3Downstream Products
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Desacetylcinobufagin
