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GDC-0879

CAT: 0013-GTR19160841-09Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160841-09Size:200 mg
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Description
A potent and selective B-Raf kinase inhibitor with IC50 of 0.13 nM against purified B-Raf V600E and a cellular pERK IC50 of 63 nM in the MALME-3M cell line; shows expected activity only against C-Raf against a panel of 140 kinases at 1 uM; shows comparable potency in A375 melanoma and Colo205 colorectal carcinoma cell lines with IC50 of 59 nM and 29 nM for pMEK1 inhibition respectively; shows tumor growth inhibition in A375 xenografts; orally active.Skin Cancer Preclinical.
CAS Number
905281-76-7
Product Name Alternative
GDC0879 | GDC 0879
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
OCCN1N=C (C2=CC=NC=C2) C (C3=CC4=C (/C (CC4) =N/O) C=C3) =C1
Molecular Formula
C19H18N4O2
Molecular Weight
334.3718
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Inden-1-one, 2,3-dihydro-5-[1- (2-hydroxyethyl) -3- (4-pyridinyl) -1H-pyrazol-4-yl]-, oxime

Chemical Information

Gdc-0879

GDC-0879 is a member of the class of pyrazoles that is 1-(2-hydroxyethyl)pyrazole carrying additional 4-pyridyl and 1-(hydroxyimino)indan-5-yl substituents at positions 3 and 4 respectively. It has a role as an antineoplastic agent and a B-Raf inhibitor. It is a primary alcohol, a ketoxime, a member of pyrazoles, a member of pyridines and a member of indanes.

CAS Number905281-76-7
PubChem CID11717001
IUPAC Name2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol
Molecular FormulaC19H18N4O2
Molecular Weight334.4
XLogP1.7
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity480
SMILES
C1C/C(=N\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO
InChI
InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
InChIKey
DEZZLWQELQORIU-RELWKKBWSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0879
CAS: 905281-76-7
CID: 11717001
Formula: C19H18N4O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass334.14297583
Monoisotopic Mass334.14297583
Topological Polar Surface Area83.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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