Products for Research Use Only

TBAP-001

CAT: 0607-BA6538-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA6538-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1777832-90-2
Form
A solid
Molecular Formula
C27H23F2N7O3
Molecular Weight
531.51
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

1-[5-Tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl]-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

pan-RAF Kinase Inhibitor CCT3833 is an orally available inhibitor of the serine/threonine protein kinase family Raf, including A-Raf, B-Raf and C-Raf, with potential antineoplastic activity. Upon administration, pan-RAF kinase inhibitor CCT3833 inhibits Raf-mediated signal transduction pathways, which may inhibit the proliferation of Raf-overexpressing tumor cells. Raf protein kinases play a key role in the RAF/mitogen-activated protein kinase kinase (MEK)/extracellular signal-regulated kinase (ERK) signaling pathway, which is often dysregulated in human cancers and plays a key role in tumor cell proliferation and survival.

CAS Number1777832-90-2
PubChem CID91799359
IUPAC Name1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
Molecular FormulaC27H23F2N7O3
Molecular Weight531.5
XLogP4.3
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity918
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC(=CC=C5)F
InChI
InChI=1S/C27H23F2N7O3/c1-27(2,3)21-13-22(36(35-21)16-6-4-5-15(28)11-16)33-26(38)32-19-8-7-17(12-18(19)29)39-20-9-10-30-25-24(20)31-14-23(37)34-25/h4-14H,1-3H3,(H,30,34,37)(H2,32,33,38)
InChIKey
AJFKKXIBHCRFJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[5-Tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl]-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
CAS: 1777832-90-2
CID: 91799359
Formula: C27H23F2N7O3
MW: 531.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight531.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass531.18304395
Monoisotopic Mass531.18304395
Topological Polar Surface Area123 Ų
Heavy Atom Count39
Formal Charge0
Complexity918
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