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TG 100801

CAT: 0804-HY-10186-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10186-01Size:5 mg
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Description
TG 100801 is a proagent that generates TG 100572 by de-esterification in development to treat age-related macular degeneration. TG 100572 is a multi-targeted kinase inhibitor which inhibits receptor tyrosine kinases and Src kinases; has IC50s of 2, 7, 2, 16, 13, 5, 0.5, 6, 0.1, 0.4, 1, 0.2 nM for VEGFR1, VEGFR2, FGFR1, FGFR2, PDGFRβ, Fgr, Fyn, Hck, Lck, Lyn, Src, Yes, respectively.
CAS Number
867331-82-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
FGFR; PDGFR; Src; VEGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/TG-100801.html
Purity
98.61
Solubility
DMSO : 5.56 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC=C1)OC2=CC=C(Cl)C(C3=CC(C)=C(N=C(NC(C=C4)=CC=C4OCCN5CCCC5)N=N6)C6=C3)=C2
Molecular Formula
C33H30ClN5O3
Molecular Weight
580.08
Precautions
H302, H315, H319, H335
References & Citations
[1]Palanki MS, et al. 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. J Med Chem. 2008 Mar 27;51 (6) :1546-59.|[2]Doukas, John, et al. Topical administration of a multi-targeted kinase inhibitor suppresses choroidal neovascularization and retinal edema. Journal of Cellular Physiology (2008), 216 (1), 29-37.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
PDGFRβ; VEGFR1/Flt-1; VEGFR2/KDR/Flk-1

Chemical Information

TG 100801

TG100801 is a topically applied kinase inhibitor in macular degeneration patients. It is administered noninvasively as an eye drop and is designed to suppress VEGF mediated leakage and additional kinase targets associated with inflammation, edema, and angiogenesis which are the pathological hallmarks of AMD and other back of the eye diseases including diabetic macular edema and proliferative diabetic retinopathy.

CAS Number867331-82-6
PubChem CID11973736
IUPAC Name[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
Molecular FormulaC33H30ClN5O3
Molecular Weight580.1
XLogP7
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity848
SMILES
CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl
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)
InChIKey
JMGXJHWTVBGOKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TG 100801
CAS: 867331-82-6
CID: 11973736
Formula: C33H30ClN5O3
MW: 580.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.1
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass579.2037175
Monoisotopic Mass579.2037175
Topological Polar Surface Area89.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity848
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3870-5TG 100801
T13157L-01TG 100801 Hydrochloride
A13819-500TG 100801 500mg
A13819-50TG 100801 50mg
A13819-5TG 100801 5mg
MBS3840968-01TG 100801 HCl
A13819-100TG 100801 100mg
A13819-25TG 100801 25mg
A13819-10TG 100801 10mg
A13819-1TG 100801 1mg

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