Tisocalcitate

Base Information

• Chemical Name: Tisocalcitate
• CAS No.: 156965-06-9
• Molecular Formula: C₃₁H₄₈O₅
• Molecular Weight: 500.719
• European Community (EC) Number: 814-495-3
• UNII: 8O4QYK6G4Y
• Wikidata: Q27270807
• NCI Thesaurus Code: C66606
• ChEMBL ID: CHEMBL2104989
• Mol file: 156965-06-9.mol

Synonyms:Tisocalcitate;156965-06-9;Tissocalcitol;UNII-8O4QYK6G4Y;Tisocalcitate [USAN:INN];8O4QYK6G4Y;Tisocalcitate [INN];ZK 156942;ZK-156942;propan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate;Isopropyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-9,10-secocholesta-5,7,10(19),22-tetraene-25-carboxylate;D07BDY;Tisocalcitate (INN/USAN);TISOCALCITATE [USAN];SCHEMBL8529759;CHEMBL2104989;SH-597;AKOS025312294;AC-8881;ZK156942;D09019;Q27270807

Chemical Property of Tisocalcitate

Chemical Property:

• PSA: 86.99000
• LogP: 5.65840
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 500.35017463
• Heavy Atom Count: 36
• Complexity: 910

Purity/Quality:

99% ^*data from raw suppliers

Tisocalcitate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)(C)C(C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
• Isomeric SMILES: C[C@H](/C=C/[C@H](C(C)(C)C(=O)OC(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
• Uses: Tisocalcitate is Vitamin D (V676045) analogue. Liposome-encapsulated vitamin D analogues such as Tisocalcitate are highly effective in treatment of alopecia.

Technology Process of Tisocalcitate

There total 1 articles about Tisocalcitate 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:

→ (5Z,7E,22E)-(1S,3R,24R)-1,3,24-Trihydroxy-9,10-secocholesta-5, 7,10(19),22-tetraene-25-carboxylic acid-1-methyl ethyl ester (156965-06-9)

Guidance literature: