Tubulysin B

Base Information

Chemical Name:Tubulysin B
CAS No.:205304-87-6
Molecular Formula:C₄₂H₆₃N₅O₁₀S
Molecular Weight:830.056
Hs Code.:
UNII:44D2D2M50T
ChEMBL ID:CHEMBL1212995
DSSTox Substance ID:DTXSID901319116
Metabolomics Workbench ID:99968
Nikkaji Number:J2.796.247E
Wikidata:Q27149182

Synonyms:tubulysin B

Suppliers and Price of Tubulysin B

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

DC Chemicals
TubulysinB >98%
10 mg
$ 6500.00

DC Chemicals
TubulysinB >98%
5 mg
$ 3600.00

DC Chemicals
TubulysinB >98%
1 mg
$ 1200.00

Total 7 raw suppliers

Chemical Property of Tubulysin B

Chemical Property:

Boiling Point:978.0±65.0 °C(Predicted)
Density:1.204±0.06 g/cm3(Predicted)
XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:24
Exact Mass:829.42956440
Heavy Atom Count:58
Complexity:1360

Purity/Quality:

>95%, ^*data from raw suppliers

TubulysinB >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC(=O)OCN(C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)C(=O)C(C(C)CC)NC(=O)C3CCCCN3C
Isomeric SMILES:CCCC(=O)OCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C

Technology Process of Tubulysin B

There total 14 articles about Tubulysin B 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: 90.0%

: tubulysin A

: 107-92-6
butyric acid

: 205304-87-6
tubulysin B

Guidance literature:: tubulysin A; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.833333h;

butyric acid; In dichloromethane; Product distribution / selectivity;

Reference yield: 90.0%

: tubulysin A

: tubulysin I

: 107-92-6
butyric acid

: 205304-87-6
tubulysin B

Guidance literature:: tubulysin A; tubulysin I; In dichloromethane; at 20 ℃; for 0.833333h;

butyric acid; In dichloromethane; Product distribution / selectivity;

Reference yield: 67.0%

: 1200041-11-7
tubutyrosine hydrochloride

: 1200041-21-9
methyl 2-{(1R,3R)-3-{[(butanoyloxy)methyl](N-{[(2R)-1-methylpiperidin-2-yl]carbonyl}-L-isoleucyl)amino}-4-methyl-1-[(triethylsilyl)oxy]pentyl}-1,3-thiazole-4-carboxylate

: 205304-87-6
Tybulysin-B

Guidance literature:: methyl 2-{(1R,3R)-3-{[(butanoyloxy)methyl](N-{[(2R)-1-methylpiperidin-2-yl]carbonyl}-L-isoleucyl)amino}-4-methyl-1-[(triethylsilyl)oxy]pentyl}-1,3-thiazole-4-carboxylate; With 2,3,4,5,6-pentafluorophenol; diisopropyl-carbodiimide; In dichloromethane; at 0 - 20 ℃;

tubutyrosine hydrochloride; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1021/ol902320w