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Basic Description
| Synonyms | 16-DPA | Pregna-5, 3.beta.-hydroxy-, acetate | KS-1008 | 3beta-Acetoxy-5,16-pregnadien-20-one | 16,17-Didehydropregnenolone acetate | Cefprozilum [INN-Latin] | Pregna-5,16-dien-20-one, 3-beta-hydroxy-, acetate | Pregna-5,16-dien-20-one, 3beta-hydroxy-, ac |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
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 Steroid esters
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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 | Steroid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroid esters |
| Alternative Parents | 20-oxosteroids Androstane steroids Delta-5-steroids Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Steroid ester - 20-oxosteroid - Androstane-skeleton - Oxosteroid - Delta-5-steroid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
| External Descriptors | steroid ester |
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Associated Targets(Human)
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SRD5A1
Tclin
Steroid 5-alpha-reductase 1 (755 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SRD5A2
Tclin
Steroid 5-alpha-reductase 2 (937 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP17A1
Tclin
Cytochrome P450 17A1 (3627 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MCF7 (126967 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PC-3 (62116 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
DPP4
Dipeptidyl peptidase IV (11 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488186730 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186730 |
| IUPAC Name | [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| INCHI | InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1 |
| InChIKey | MZWRIOUCMXPLKV-RFOVXIPZSA-N |
| Smiles | CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| Isomeric SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| Molecular Weight | 356.5 |
| Reaxy-Rn | 2063690 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2063690&ln= |
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 |
|---|---|---|---|
 K2217671 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| A2329108 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| F2523364 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| K2217694 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| K2217686 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| K2217676 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| K2217675 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| K2217642 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
| K2217674 |
Certificate of Analysis | Aug 04, 2022 | D352331 |
Chemical and Physical Properties
| Melt Point(°C) | 170-178°C |
|---|---|
| Molecular Weight | 356.500 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 356.235 Da |
| Monoisotopic Mass | 356.235 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 702.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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. Xiao-San Li, Mao-Xun Yang, Yu-Hao Luo, He-Hui Zhan, Mei-Fang Chen, Yong-Mei Huang, Li Liu, Xue-Mei Yang. (2022) Design, Synthesis and Anticancer Activity of Novel Steroidal Derivatives with D-Ring Fused or Substituted N-Heterocyclic Systems. CHEMISTRY & BIODIVERSITY, 19 (10): (e202200648). |
Solution Calculators
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