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SB590885

CAT: 0607-B1406-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1406-50Size:50 mg
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Description
Potent B-Raf inhibitor
CAS Number
405554-55-4
Product Name Alternative
N,N-dimethyl-2-[4-[(4Z)-4-(1-nitroso-2,3-dihydroinden-5-ylidene)-5-(1H-pyridin-4-ylidene)-1H-imidazol-2-yl]phenoxy]ethanamine
Field of Research
MAPK Signaling Raf
Purity
0.981
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥4.54 mg/mL in DMSO with gentle warming
Smiles
CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2
Molecular Formula
C27H27N5O2
Molecular Weight
453.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

SB 590885

N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine is a ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively. It is a member of imidazoles, a ketoxime, a member of pyridines, an aromatic ether and a tertiary amino compound.

CAS Number405554-55-4
PubChem CID135564599
IUPAC NameN-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
Molecular FormulaC27H27N5O2
Molecular Weight453.5
XLogP4
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity674
SMILES
CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5
InChI
InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)
InChIKey
MLSAQOINCGAULQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 590885
CAS: 405554-55-4
CID: 135564599
Formula: C27H27N5O2
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass453.21647512
Monoisotopic Mass453.21647512
Topological Polar Surface Area86.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS8506522-01SB590885
A10829-25SB590885 25mg
A10829-5SB590885 5mg
A10829-100SB590885 100mg
A10829-50SB590885 50mg
A10829-10SB590885 10mg
A10829-1SB590885 1mg
A10829-10mM-DSB590885 10mM * 1mL in DMSO

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