Compound Summary
Compound Information
Mubritinib
Compound Name: | Mubritinib |
Compound CID: | 6444692 |
Synonyms: | Mubritinib 366017-09-6 Mubritinib (TAK 165) TAK 165 TAK-165 More... |
Iupac Name: | 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole |
InChI: | InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+ |
InChIKey: | ZTFBIUXIQYRUNT-MDWZMJQESA-N |
Canonical Smiles: | C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F |
Isomeric Smiles: | C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)/C=C/C4=CC=C(C=C4)C(F)(F)F |
Molecular Weight: | 468.5 |
Molecular Formula: | C25H23F3N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Mubritinib
Molecular Weight: | 468.5 |
Molecular Formula: | C25H23F3N4O2 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 34 |
Complexity: | 620 |
Synonyms
Mubritinib
| Mubritinib | Mubritinib |
|---|---|
Mubritinib |
366017-09-6 |
Mubritinib (TAK 165) |
TAK 165 |
TAK-165 |
TAK165 |
UNII-V734AZP9BR |
V734AZP9BR |
(E)-4-((4-(4-(1H-1,2,3-triazol-1-yl)butyl)phenoxy)methyl)-2-(4-(trifluoromethyl)styryl)oxazole |
4-4-4-(triazol-1-yl)butylphenoxymethyl-2-(E)-2-4-(trifluoromethyl)phenylethenyl-1,3-oxazole |
1-(4-(4-((2-((1E)-2-(4-(Trifluoromethyl)phenyl)ethenyl)-4-oxazolyl)methoxy)phenyl)butyl)-1H-1,2,3-triazole |
C25H23F3N4O2 |
1-4-4-2-(1E)-2-4-(trifluoromethyl)phenylethenyl-4-oxazolylmethoxyphenylbutyl-1H-1,2,3-triazole |
Mubritinib (USAN/INN) |
Mubritinib USAN:INN |
(E)-4-4-4-(1H-1,2,3-Triazol-1-yl)butylphenoxymethyl-2-4-(trifluoromethyl)styryloxazole |
1-(4-{4-(2-{(E)-2-4-(trifluoromethyl)phenylethenyl}-1,3-oxazol-4-yl)methoxyphenyl}butyl)-1H-1,2,3-triazole |
1-4-4-2-(E)-2-4-(Trifluoromethyl)phenylethenyl-1,3-oxazol-4-ylmethoxyphenylbutyl-1H-1,2,3-triazole |
Mubritinib; TAK-165 |
Mubritinib - TAK 165 |
SCHEMBL94943 |
MUBRITINIB, FREE BASE |
cc-594 |
MLS006010161 |
GTPL6011 |
CHEMBL1614707 |
Mubritinib, >=98% (HPLC) |
AOB6507 |
SYN1112 |
HMS3414A21 |
HMS3678A21 |
BCP02837 |
EX-A2107 |
MFCD09954135 |
NSC800802 |
s2216 |
ZINC11679877 |
AKOS015918001 |
AC-5248 |
BCP9000012 |
CCG-269433 |
CS-3954 |
DB12682 |
NSC-800802 |
NCGC00346582-08 |
AS-16256 |
HY-13501 |
LS-15096 |
SMR004458708 |
AB0033770 |
M3058 |
SW219659-1 |
X7505 |
D04025 |
017M096 |
A823310 |
Q6930896 |
(E)-4-((4-(4-(1H-1,2,3-triazol-1-yl)butyl)phenyl1H-1,2,3-triazol-1-yl)butyl)phenoxy)methyl)-2-(4-(trifluoromethyl)styryl)oxazole |
(E)-4-4-4-(1H-1,2,3-Triazol-1-yl)butylphenoxymethyl-2-4-(trifluoromethyl)styryloxazole / TAK 165 |
4-4-2-(E)-2-4-(Trifluoromethyl)phenylethenyl-1,3-oxazol-4-ylmethoxyphenylbutyl-1H-1,2,3-triazole |
1-(4-(4-((2-((E)-2-(4-(Trifluoromethyl)phenyl)ethenyl)oxazol-4-yl)methoxy)phenyl)butyl)-1H-1,2,3-triazole |
1-4-4-2-(E)-2-(4-trifluoromethylphenyl)ethenyl-1,3-oxazol-4-ylmethoxyphenyl-butyl-1H-1,2,3-triazole |
1-4-4-2-(E)-2-(4-trifluoromethylphenyl)ethenyl-1,3-oxazol-4-ylmethoxyphenylbutyl-1H-1,2,3-triazole |
1-4-4-2-(E)-2--4-(trifiuoromethyl)phenylethenyl-1,3-oxazol-4-ylmethoxyphenylbutyl-1H-1,2,3-triazole |
1-4-4-2-(E)-2-4-(trifluoromethyl)phenylethenyl-1,3-oxazol-4-ylmethoxyphenylbutyltriazole |
1H-1,2,3-triazole, 1-(4-(4-((2-((1E)-2-(4-(trifluoromethyl)phenyl)ethenyl)-4-oxazolyl)methoxy)phenyl)butyl)- |
Experimental Data
Mubritinib
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 5 | umol/L | 0 | S | N2 | 32735859 | Active | ||||||
| Caenorhabditis elegans | 20 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 10 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 2.5 | umol/L | 0 | S | N2 | 32735859 | Active |
Experimental Data Visualization
Mubritinib
Statistics Data
Mubritinib
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 4 |
Statistics Data Visualization
Mubritinib
