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Basic Description
| Synonyms | MLS001164064 | Spirosol-5-en-3-ol, (3beta,22alpha,25R)- | Purapuridine | SR-01000814832-4 | UNII-L40Y453Y96 | Prestwick3_000663 | SMR000539436 | BPBio1_000799 | NSC178260 | NSC-178260 | SOLASODINE [MI] | NSC-179187 | SR-01000814832-3 | AS-57305 | SMR00145 |
|---|---|
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Solasodine(Purapuridine) is a poisonous alkaloid chemical compound that occurs in plants of the Solanaceae family. Solasodine showed selective cytotoxicity against cervical cancer cell line (HeLa) and human myeloid leukemia cell line (U937). |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Steroidal alkaloids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroidal alkaloids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Spirosolanes and derivatives |
| Alternative Parents | 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Delta-5-steroids Azasteroids and derivatives Azaspirodecane derivatives Alkaloids and derivatives Piperidines Tetrahydrofurans Secondary alcohols Hemiaminals Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Spirosolane skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Azasteroid - Delta-5-steroid - Azaspirodecane - Alkaloid or derivatives - Piperidine - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Hemiaminal - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Oxacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as spirosolanes and derivatives. These are steroidal alkaloids with a structure containing a spirosolane skeleton. Siporosolane is a polycyclic compound that is characterized by a 1-oxa-6-azaspiro[4.5]decane moiety where the oxolane ring is fused to a docosahydronaphth[2,1:4',5']indene ring system. Spirosolane arises from the conversion of a cholestane side-chain into a bicyclic system containing a piperidine and a tetrahydrofuran ring. |
| External Descriptors | Solanidines and alkaloid derivatives - Steroidal alkaloids |
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Associated Targets(Human)
TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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APEX1
Tchem
DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Saccharomyces cerevisiae (19171 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein phosphatase (23 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ATP-dependent molecular chaperone HSP82 (2186 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504758790 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758790 |
| IUPAC Name | (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol |
| INCHI | InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | KWVISVAMQJWJSZ-VKROHFNGSA-N |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1 |
| Isomeric SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1 |
| PubChem CID | 442985 |
| Molecular Weight | 413.64 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2230215 |
Certificate of Analysis | Mar 14, 2024 | S125251 |
| E2230212 |
Certificate of Analysis | Mar 14, 2024 | S125251 |
| E2230202 |
Certificate of Analysis | Mar 14, 2024 | S125251 |
Chemical and Physical Properties
| Solubility | Freely soluble in benzene, pyridine, chloroform, acetone (3.5 mg/ml) at 30 °C, methanol (9.5 mg/ml) at 30 °C, 95% ethanol (5.0 mg/ml) at 30 °C, n-hexane (<1.0 mg/ml) at 30 °C, and water (<1.0 mg/ml) at 30 °C. Practically insoluble in ether. |
|---|---|
| Sensitivity | light sensitive |
| Molecular Weight | 413.600 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 413.329 Da |
| Monoisotopic Mass | 413.329 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 749.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| 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 |
Citations of This Product
| 1. Mei Qu, Peng Xue, Qi Zhang, Tiantian Lu, Kun Liu, Bingying Hu, Jingjing Pang, Qianqian Xiao, Tongxin Xu, Quande Wang, Zhongzhe Cheng. (2022) Pharmacokinetics, oral bioavailability and metabolic analysis of solasodine in mice by dried blood spot LC-MS/MS and UHPLC-Q-Exactive MS. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 210 (114542). |
| 2. Fajun Wang, Jinpei Huang, Jianhong Xu. (2018) Continuous-flow synthesis of azo dyes in a microreactor system. Chemical Engineering and Processing-Process Intensification, 127 (43). |
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