Cas no 465-19-0 (Deacetylbufotalin)
Deacetylbufotalin is a bioactive steroid compound derived from bufadienolides, a class of cardiotonic steroids found in certain toad venoms and plants. It exhibits notable pharmacological properties, including potential antitumor, anti-inflammatory, and cardiotonic activities. Structurally, it lacks the acetyl group at the C-16 position compared to its parent compound, bufotalin, which may influence its bioavailability and metabolic stability. Research suggests Deacetylbufotalin interacts with cellular pathways such as Na+/K+-ATPase inhibition, contributing to its cytotoxic effects against cancer cells. Its purity and well-defined molecular structure make it valuable for biochemical and pharmacological studies, particularly in exploring novel therapeutic agents for oncology and cardiovascular research.
Deacetylbufotalin structure
Product Name:Deacetylbufotalin
CAS No:465-19-0
MF:C24H34O5
MW:402.523767948151
CID:329205
PubChem ID:12358889
Update Time:2025-10-14
Deacetylbufotalin Chemical and Physical Properties
Names and Identifiers
-
- Bufa-20,22-dienolide,3,14,16-trihydroxy-, (3b,5b,16b)-
- bufogenin B
- (3beta,5beta,8xi,9xi,16beta)-3,14,16-trihydroxybufa-20,22-dienolide
- Desacetylbufotalin
- 0V5L6RJ023
- 16-beta-Hydroxybufalin
- Q27237290
- Deacetylbufotalin
-
- Inchi： 1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19+,21+,22+,23-,24+/m1/s1
- InChI Key： MWFCMSURKYLINK-QDLCSJEJSA-N
- SMILES： O[C@]12C[C@@H]([C@H](C3=COC(C=C3)=O)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O)O
Computed Properties
- Exact Mass: 402.241
- Monoisotopic Mass: 402.241
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 773
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 87
Experimental Properties
- Density: 1.0687 (rough estimate)
- Melting Point: 216.5°C (rough estimate)
- Boiling Point: 444.65°C (rough estimate)
- Flash Point: 204.1°C
- Refractive Index: 1.5800 (estimate)
- Specific Rotation: D19 +30° (c = 1.039 in dioxane)
Deacetylbufotalin Security Information
- Hazardous Material transportation number：3172
- HazardClass：6.1(a)
- PackingGroup：II
Deacetylbufotalin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D271915-1mg |
Deacetylbufotalin |
465-19-0 | 1mg |
$ 125.00 | 2022-06-02 | ||
| TRC | D271915-2.5mg |
Deacetylbufotalin |
465-19-0 | 2.5mg |
$ 185.00 | 2022-06-02 | ||
| TRC | D271915-5mg |
Deacetylbufotalin |
465-19-0 | 5mg |
$ 415.00 | 2022-06-02 | ||
| A2B Chem LLC | AG41169-1mg |
bufogenin B |
465-19-0 | 1mg |
$163.00 | 2024-04-20 | ||
| A2B Chem LLC | AG41169-2mg |
bufogenin B |
465-19-0 | 2mg |
$200.00 | 2024-04-20 | ||
| A2B Chem LLC | AG41169-5mg |
bufogenin B |
465-19-0 | 5mg |
$288.00 | 2024-04-20 | ||
| A2B Chem LLC | AG41169-10mg |
bufogenin B |
465-19-0 | 10mg |
$413.00 | 2024-04-20 |
Deacetylbufotalin Related Literature
-
Jing Zhou,Huacong Zhao,Luyao Chen,Xiaowei Xing,Tingmei Lv,Xinyi Yang,Qinan Wu,Jinao Duan,Hongyue Ma RSC Adv. 2019 9 1208
-
Jing Zhou,Huacong Zhao,Luyao Chen,Xiaowei Xing,Tingmei Lv,Xinyi Yang,Qinan Wu,Jinao Duan,Hongyue Ma RSC Adv. 2019 9 1208
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Bufanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bufanolides and derivatives
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