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SCH772984

CAT: 1568-C12442-03Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C12442-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
942183-80-4
SKU
C12442-5mg
Target
ERK
Applications
MAPK
Smiles
C1CN (CC1C (=O) NC2=CC3=C (C=C2) NN=C3C4=CC=NC=C4) CC (=O) N5CCN (CC5) C6=CC=C (C=C6) C7=NC=CC=N7
Molecular Formula
C33H33N9O2
Additionnal Information
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.
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
Loading 3D structure...
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

Alternative Products

CatalogName
A3805-10SCH772984
B5866-10SCH772984 HCl
B5867-10SCH772984 TFA
A12824-200SCH772984 200mg

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