7-Methylthiomethylpaclitaxel

Base Information Edit

Chemical Name:7-Methylthiomethylpaclitaxel
CAS No.:160237-25-2
Molecular Formula:C49H55 N O14 S
Molecular Weight:914.04
Hs Code.:
UNII:3811W2NBZ8
DSSTox Substance ID:DTXSID30873340
Nikkaji Number:J1.626.253F
Wikidata:Q27256717
NCI Thesaurus Code:C1843
Metabolomics Workbench ID:153586
ChEMBL ID:CHEMBL4297267
Mol file:160237-25-2.mol

Synonyms:7-methylthiomethyl-paclitaxel;7-methylthiomethylpaclitaxel;BMS 184476;BMS-184476;BMS184476

Suppliers and Price of 7-Methylthiomethylpaclitaxel

Supply Marketing:Edit

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

Total 1 raw suppliers

Chemical Property of 7-Methylthiomethylpaclitaxel Edit

Chemical Property:

PSA：235.59000
LogP:5.47140
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:17
Exact Mass:913.33432660
Heavy Atom Count:65
Complexity:1850

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OCSC)C)OC(=O)C
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OCSC)C)OC(=O)C
Recent ClinicalTrials:BMS-184476 in Treating Patients With Advanced Solid Tumors

Technology Process of 7-Methylthiomethylpaclitaxel

There total 7 articles about 7-Methylthiomethylpaclitaxel 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: 95.0%

: 174674-03-4
2'-triethylsilyl-7-methylthiomethylpaclitaxel

: 160237-25-2
BMS-184476

Guidance literature:: With hydrogenchloride; In acetonitrile; at 0 ℃; for 1h;
DOI:10.1021/jm0102607

Reference yield: 95.0%

: 75-18-3
dimethylsulfide

: 33069-62-4
taxol

: 160237-25-2
BMS-184476

: 160237-34-3
C₅₁H₅₉NO₁₄S₂

Guidance literature:: With dibenzoyl peroxide; In acetonitrile; at 0 ℃; for 2h;
DOI:10.1016/0960-894X(96)00321-6

Reference yield:

: 148930-55-6
7-O-(triethylsilyl)paclitaxel

: 160237-25-2
BMS-184476

Guidance literature:: Multi-step reaction with 6 steps

1: benzoyl peroxide

2: HCl / acetonitrile

3: N-iodosuccinimide, 4 Angstroem sieves / CH₂Cl₂; tetrahydrofuran

4: H₂ / Pd-C / ethyl acetate / 2.5 h / 3102.9 Torr / Ambient temperature

5: bovine intestinal alkaline phosphatase

6: benzoyl peroxide / acetonitrile / 2 h / 0 °C

With hydrogenchloride; N-iodo-succinimide; 4 A molecular sieve; hydrogen; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate; acetonitrile;
DOI:10.1016/0960-894X(96)00321-6