Plomestane

Base Information

• Chemical Name: Plomestane
• CAS No.: 77016-85-4
• Molecular Formula: C₂₁H₂₆O₂
• Molecular Weight: 310.436
• UNII: FL3VS913TW
• DSSTox Substance ID: DTXSID601318490
• Nikkaji Number: J390.645K
• Wikipedia: Plomestane
• Wikidata: Q7205081
• NCI Thesaurus Code: C63955
• Pharos Ligand ID: UU3VM1DMGZ2S
• ChEMBL ID: CHEMBL2105261
• Mol file: 77016-85-4.mol

Synonyms:10-PED;10-propargylandrost-4-ene-3,17-dione;10-propargylestr-4-ene-3,17-dione;19-acetylenic androstenedione;MDL 18962;MDL-18,962;plomestane

Chemical Property of Plomestane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 460.932°C at 760 mmHg
• Flash Point: 171.502°C
• PSA: 34.14000
• Density: 1.136g/cm³
• LogP: 4.09080
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 310.193280068
• Heavy Atom Count: 23
• Complexity: 648

Purity/Quality:

98% ^*data from raw suppliers

PLOMESTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CC#C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CC#C
• Uses: Antineoplastic.

Technology Process of Plomestane

There total 17 articles about Plomestane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.3%

→ 10β-(2-propynyl)estr-4-ene-3,17-dione (77016-85-4)

Guidance literature:

Reference yield: 79.0%

C25H34O4 → 10β-(2-propynyl)estr-4-ene-3,17-dione (77016-85-4)

Guidance literature:

DOI:10.1021/ja00401a054

Reference yield:

5α-hydroxy-10β-<3-(trimethylsilyl)propargyl>estra-3,17-dione (117626-56-9) → 10β-(2-propynyl)estr-4-ene-3,17-dione (77016-85-4)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Heating;

DOI:10.1021/jm00121a037

upstream raw materials:

19-ethynyl-3beta,17beta-androst-5-ene diol

5α-hydroxy-10β-<3-(trimethylsilyl)propargyl>estra-3,17-dione

estra-5⁽¹⁰⁾-en-3,17-dione

5α,10α-epoxyestra-3,17-dione bis(ethylene ketal)

Refernces

• 1、 Metcalf, B. W.,Wright, C. L.,Burkhart, J. P.,Johnston, J. O.. "Substrate-Induced Inactivation of Aromatase by Allenic and Acetylenic Steroids". . p. 3221 - 3222. Retrieved 1981.
• 2、 Bednarski, Patrick J.,Nelson, Sidney D.. "Interactions of Thiol-Containing Androgens with Human Placental Aromatase". . p. 203 - 213. Retrieved 2007/10/02.