TBAP-001

CAT: 0607-BA6538-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6538-10Size:10 mg

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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 Number	1777832-90-2
PubChem CID	91799359
IUPAC Name	1-[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 Formula	C27H23F2N7O3
Molecular Weight	531.5
XLogP	4.3
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	918

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

CAS: 1777832-90-2

CID: 91799359

Formula: C27H23F2N7O3

MW: 531.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	531.5
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	531.18304395
Monoisotopic Mass	531.18304395
Topological Polar Surface Area	123 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	918
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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