CAS
123920-29-6 Purity
96%
123920-29-6 Purity
96%
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Tubastatin a trifluoroacetate
CAS
1239262-52-2
Catalog Number
ACM1239262522
Category
Other Products
Molecular Weight
449.42
Molecular Formula
C22H22F3N3O4
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Specification
Synonyms
N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-Trifluoroacetate;
IUPAC Name
N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;hydrochloride
Canonical SMILES
CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO.C(=O)(C(F)(F)F)O
InChI Key
LJTSJTWIMOGKRJ-UHFFFAOYSA-N
Exact Mass
449.15600
H-Bond Acceptor
3
H-Bond Donor
3
Upstream Synthesis Route 1
- 1252003-15-8
- 76-05-1
- 1239262-52-2
Reference: [1]Journal of the American Chemical Society,2010,vol. 132,p. 10842 - 10846
Upstream Synthesis Route 2
- 1239034-70-8
- 76-05-1
- 1239262-52-2
Reference: [1]Patent: WO2011/11186,2011,A2 .Location in patent: Page/Page column 54-55
Upstream Synthesis Route 3
- 1445-73-4
- 1239262-52-2
Reference: [1]Current Patent Assignee: UNIVERSITY OF ILLINOIS (SYSTEM) - WO2011/11186, 2011, A2
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