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Tg 100801

CAS No.:
867331-82-6
Catalog Number:
AG00GU6Y
Molecular Formula:
C33H30ClN5O3
Molecular Weight:
580.0760
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$423
- +
10mg
98%
1 week
United States
$690
- +
50mg
98%
1 week
United States
$1657
- +
Product Description
Catalog Number:
AG00GU6Y
Chemical Name:
Tg 100801
CAS Number:
867331-82-6
Molecular Formula:
C33H30ClN5O3
Molecular Weight:
580.0760
MDL Number:
MFCD16038901
IUPAC Name:
[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
InChI:
InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)
InChI Key:
JMGXJHWTVBGOKG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1c1cc(C)c2c(c1)nnc(n2)Nc1ccc(cc1)OCCN1CCCC1)OC(=O)c1ccccc1
UNII:
1VZO7A0J9S
Properties
Complexity:
848  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.204g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
580.085g/mol
Monoisotopic Mass:
579.204g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  
Literature
Title Journal
SU5416 induces premature senescence in endothelial progenitor cells from patients with age-related macular degeneration. Molecular vision 20110101
Topical administration of a multi-targeted kinase inhibitor suppresses choroidal neovascularization and retinal edema. Journal of cellular physiology 20080701
Development of prodrug 4-chloro-3-(5-methyl-3-{[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino}-1,2,4-benzotriazin-7-yl)phenyl benzoate (TG100801): a topically administered therapeutic candidate in clinical trials for the treatment of age-related macular degeneration. Journal of medicinal chemistry 20080327
Properties