Retaspimycin hydrochloride

Base Information

• Chemical Name: Retaspimycin hydrochloride
• CAS No.: 857402-63-2
• Molecular Formula: C₃₁H₄₅N₃O₈*ClH
• Molecular Weight: 624.175
• UNII: 928Q33Q049
• ChEMBL ID: CHEMBL377559
• NCI Thesaurus Code: C48401
• Pharos Ligand ID: 414HLSD2K6GQ
• Wikidata: Q27139829
• Mol file: 857402-63-2.mol

Synonyms:17-(allylamino)-17-demethoxy-geldanamycin;17-(allylamino)-17-demethoxygeldanamycin;17-AAG;17-allyl-aminogeldanamycin;17-allylamino-17-demethoxygeldanamycin;17-allylamino-17-demethoxygeldanamycin hydroquinone;17-allylamino-17-demethoxygeldanamycin hydroquinone salt;17-allylamino-geldanamycin;17-allylaminogeldanamycin;17-N-allylamino-17-demethoxygeldanamycin;17AAG;CNF1010;IPI 493;IPI 504;IPI-493;IPI-504;IPI493;IPI504;NSC 330507;NSC-330507;retaspimycin hydrochloride;tanespimycin

Chemical Property of Retaspimycin hydrochloride

Chemical Property:

• PSA: 172.60000
• LogP: 6.09350
• Solubility.: ≥26.1 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥100 mg/mL in EtOH with ultrasonic
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 623.2973431
• Heavy Atom Count: 43
• Complexity: 999

Purity/Quality:

98% ^*data from raw suppliers

Retaspimycinhydrochloride >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC.Cl
• Isomeric SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)/C)OC)OC(=O)N)\C)C)O)OC.Cl
• Recent ClinicalTrials: IPI-504 in NSCLC Patients With ALK Translocations
• Recent EU Clinical Trials: A Phase 2, Double-Blind, Placebo-Controlled Study of IPI-504 and Docetaxel in Previously Treated patients with Stage IIIB or IV Non-Small Cell Lung Cancer

Technology Process of Retaspimycin hydrochloride

There total 1 articles about Retaspimycin hydrochloride 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:

17-allylamino-17-demethoxygeldanamycin (75747-14-7) → retaspimycin hydrochloride (857402-63-2)

Guidance literature:

17-allylamino-17-demethoxygeldanamycin; With sodium dithionite; In dichloromethane; water; for 0.5h;

With hydrogenchloride; In 1,4-dioxane; dichloromethane; water; for 0.5h;

upstream raw materials:

17-allylamino-17-demethoxygeldanamycin

Refernces

• 1、 -. "Hydroquinone Ansamycin Formulations". Page/Page column 8-9. . Retrieved 2008/12/04.