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SCH772984

CAT: 0957-S7101-01Size: 1 mgDry Ice: YesHazardous: No
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CAT#:0957-S7101-01Size:1 mg
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Description
SCH772984 is a novel, specific inhibitor of ERK1/2 with IC50 values of 4 nM and 1 nM in cell-free assay, respectively, And show robust efficacy in RAS- or BRAF-mutant cancer cells.
CAS Number
942183-80-4
Target
ERK
Activity
MAPK
Molecular Formula
C33H33N9O2
Storage Conditions
2 years -80 in solvent

Chemical Information

Sch772984

SCH772984 is a member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties. It has a role as an analgesic, an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a member of pyridines, a member of indazoles, a member of pyrimidines, a pyrrolidinecarboxamide, a N-alkylpyrrolidine, a N-acylpiperazine, a N-arylpiperazine, a tertiary amino compound and a biaryl.

CAS Number942183-80-4
PubChem CID24866313
IUPAC Name(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Molecular FormulaC33H33N9O2
Molecular Weight587.7
XLogP2.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity957
SMILES
C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7
InChI
InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
InChIKey
HDAJDNHIBCDLQF-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Sch772984
CAS: 942183-80-4
CID: 24866313
Formula: C33H33N9O2
MW: 587.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.7
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass587.27572133
Monoisotopic Mass587.27572133
Topological Polar Surface Area123 Ų
Heavy Atom Count44
Formal Charge0
Complexity957
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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