Diazepinomicin

Base Information

Chemical Name:Diazepinomicin
CAS No.:733035-26-2
Deprecated CAS:179981-40-9
Molecular Formula:C₂₈H₃₄N₂O₄
Molecular Weight:462.589
Hs Code.:
UNII:YPH994Y0RF
DSSTox Substance ID:DTXSID40223539
Nikkaji Number:J2.089.176I
Wikidata:Q27294642
NCI Thesaurus Code:C62508
Metabolomics Workbench ID:117404
ChEMBL ID:CHEMBL550961
Mol file:733035-26-2.mol

Synonyms:4,6,8-trihydroxy-10-(3,7,11-trimethyldodeca-2,6,10-trienyl)-5,10-dihydrodibenzo(b,e)(1,4)diazepin-11-one;diazepinomicin;ECO-4601;TLN 4601;TLN-4601;TLN4601

Suppliers and Price of Diazepinomicin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
TLN-4601 95.00%
5MG
$ 502.57

Total 29 raw suppliers

Chemical Property of Diazepinomicin

Chemical Property:

Melting Point:192-194 °C
Boiling Point:693.2±55.0 °C(Predicted)
PKA:9.35±0.20(Predicted)
PSA：98.48000
Density:1.170±0.06 g/cm3(Predicted)
LogP:6.58100
XLogP3:6.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:462.25185757
Heavy Atom Count:34
Complexity:785

Purity/Quality:

99% ^*data from raw suppliers

TLN-4601 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCCC(=CCN1C2=C(C(=CC(=C2)O)O)NC3=C(C1=O)C=CC=C3O)C)C)C
Isomeric SMILES:CC(=CCC/C(=C/CC/C(=C/CN1C2=C(C(=CC(=C2)O)O)NC3=C(C1=O)C=CC=C3O)/C)/C)C
Recent ClinicalTrials:AMO-01 to Treat Adolescents and Adults With Phelan-McDermid Syndrome (PMS) and Co-morbid Epilepsy

Technology Process of Diazepinomicin

There total 25 articles about Diazepinomicin 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: 80.0%

: 4,6,8-tris[(triisopropylsilyl)oxy]-10-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

: 733035-26-2
ECO-4601

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 0.5h;
DOI:10.1016/j.tetlet.2015.08.070

Reference yield:

: 20734-67-2
3,5-dihydroxyphenylamine

: 733035-26-2
ECO-4601

Guidance literature:: Multi-step reaction with 7 steps

1.1: 1H-imidazole / N,N-dimethyl-formamide / 24 h / 20 °C / Inert atmosphere

2.1: pyridine / dichloromethane / 18 h / 20 °C / Inert atmosphere

3.1: N-Bromosuccinimide / dichloromethane / 1 h / 20 °C

4.1: lithium diisopropyl amide / tetrahydrofuran / 0.25 h / Inert atmosphere

4.2: 3 h / Inert atmosphere

5.1: iron; ammonium chloride / tetrahydrofuran; water / 7.25 h / Reflux

6.1: DavePhos; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 7 h / Inert atmosphere; Reflux

7.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 0 °C

With pyridine; 1H-imidazole; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-Bromosuccinimide; tetrabutyl ammonium fluoride; iron; ammonium chloride; sodium t-butanolate; DavePhos; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; toluene; 6.1: |Buchwald-Hartwig Coupling;
DOI:10.1016/j.tetlet.2015.08.070