1-Methyl-4-(tributylstannyl)imidazole
Product Information
Molecular Formula
C16H32N2Sn
Molecular Weight
371.15
Description
1-Methyl-4-(tributylstannyl)imidazole (CAS# 446285-73-0) is used as a reagent in the synthesis of methylthiopyrazole epothilone B which is a highly potent anticancer drug.
Synonyms
tributyl-(1-methyl-4-imidazolyl)stannane; tributyl-(1-methylimidazol-4-yl)stannane
IUPAC Name
tributyl-(1-methylimidazol-4-yl)stannane
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN(C=N1)C
InChI
InChI=1S/C4H5N2.3C4H9.Sn/c1-6-3-2-5-4-6;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChI Key
WCEWCRAPSCLFOV-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95 %
Density
1.128 g/mL at 25 °C
Refractive Index
n20/D 1.509
LogP
4.47620
Safety Information
Hazards
H301 - H312 - H315 - H319 - H372 - H410
Precautionary Statement
P260, P264, P270, P273, P280, P301+P310, P302+P352, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
10
Exact Mass
372.158752 g/mol
Monoisotopic Mass
372.158752 g/mol
Topological Polar Surface Area
17.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
211
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021262990-A1 | Capsid inhibitors for the treatment of hiv | 2020-06-25 |
| WO-2021257828-A1 | Substituted thienopyrimidines that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | 2020-06-18 |
| WO-2021222359-A1 | Thieno pyrimidines as ferroportin inhibitors | 2020-04-28 |
| WO-2021222363-A1 | Cycloalkyl pyrimidines as ferroportin inhibitors | 2020-04-28 |
| WO-2021222483-A1 | Methods of use for pyrimidines as ferroportin inhibitors | 2020-04-28 |
| WO-2021209539-A1 | Pyrrolo[1,2-d][1,2,4]triazine-2-yl-acetamides as inhibitors of the nlrp3 inflammasome pathway | 2020-04-15 |
| WO-2021197276-A1 | Amide compounds and uses thereof | 2020-03-30 |
| WO-2021134004-A1 | Cyclic compounds and methods of using same | 2019-12-27 |
| TW-202136270-A | Cyclic compounds and methods of using same | 2019-12-27 |
| WO-2021055744-A1 | 4-substituted indole and indazole sulfonamido derivatives as parg inhibitors | 2019-09-20 |
