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AZ304

CAT: 0013-GTR19160705-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160705-08Size:200 mg
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Description
AZ304 is a novel potent, dual BRAF inhibitor targeting the kinase domains of wild type BRAF, V600E mutant BRAF and wild type CRAF with IC50 of 79 nM, 38 nM and 68 nM, respectively; also potentlt inhibits p38 and CSF1R with IC50 of 6 and 35 nM, has no activity for MAP3K7, CSK, IGF1R, EGFR, FGFR, CDK2, CDK4, JAK2, SRC (IC50>5 uM) ; potently reduces p-ERK with mean EC50 of 65 nM in the V600E mutant BRAF containing melanoma cell line A375, EC50 of 60 nM in wild type BRAF melanoma cell line SK-MEL-31; inhibits cell proliferation in mutant BRAF, wt BRAF/RAS and mutant RAS with IC50 of 0.08-7.72 uM, 0.43-11.7 uM 0.9-16.66 uM, respectively; Cetuximab enhances the potency of AZ304 independently of BRAF mutational status in vivo.
CAS Number
942507-42-8
Product Name Alternative
AZ 304 | AZ-304
Purity
>98% (HPLC)
Solubility
DMSO: 85 mg/mL; Ethanol: 4 mg/mL; Water: Insoluble (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C (NC1=CC=C (C) C (NC2=C3C=CC (OC) =CC3=NC=N2) =C1) C4=CC=CC (C (C) (C#N) C) =C4
Molecular Formula
C27H25N5O2
Molecular Weight
451.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3- (2-cyanopropan-2-yl) -N- (3- ((7-methoxyquinazolin-4-yl) amino) -4-methylphenyl) benzamide

Chemical Information

3-(2-Cyanopropan-2-yl)-N-(3-((7-methoxyquinazolin-4-yl)amino)-4-methylphenyl)benzamide
CAS Number942507-42-8
PubChem CID16202218
IUPAC Name3-(2-cyanopropan-2-yl)-N-[3-[(7-methoxyquinazolin-4-yl)amino]-4-methylphenyl]benzamide
Molecular FormulaC27H25N5O2
Molecular Weight451.5
XLogP5.2
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity749
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=NC=NC4=C3C=CC(=C4)OC
InChI
InChI=1S/C27H25N5O2/c1-17-8-9-20(31-26(33)18-6-5-7-19(12-18)27(2,3)15-28)13-23(17)32-25-22-11-10-21(34-4)14-24(22)29-16-30-25/h5-14,16H,1-4H3,(H,31,33)(H,29,30,32)
InChIKey
NGWQZRWVYYFTHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Cyanopropan-2-yl)-N-(3-((7-methoxyquinazolin-4-yl)amino)-4-methylphenyl)benzamide
CAS: 942507-42-8
CID: 16202218
Formula: C27H25N5O2
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass451.20082506
Monoisotopic Mass451.20082506
Topological Polar Surface Area99.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity749
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