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ERK2 IN-5

CAT: 0804-HY-170526Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-170526Size:1 Each
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Description
ERK2 IN-5 (Compound 5g) is an inhibitor for ERK2, and exhibits good affinity to ERK2 and JNK3 with Ki of 86 and 550 nM[1].
CAS Number
353250-09-6
UNSPSC
12352101
Target
ERK; JNK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway; Stem Cell/Wnt
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/erk2-in-5.html
Smiles
O=C(C1=CC(C2=NNC=C2C3=CC=CC(Cl)=C3)=CN1)NCC4=CC=CC=C4
Molecular Formula
C21H17ClN4O
Molecular Weight
376.84
References & Citations
[1]Aronov AM, et al., Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors. J Med Chem. 2007 Mar 22;50 (6) :1280-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ERK2; JNK3

Chemical Information

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CAS Number353250-09-6
PubChem CID135449325
IUPAC NameN-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
Molecular FormulaC21H17ClN4O
Molecular Weight376.8
XLogP4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=CN2)C3=C(C=NN3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)
InChIKey
PDJZASCRQRBYQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CAS: 353250-09-6
CID: 135449325
Formula: C21H17ClN4O
MW: 376.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.8
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass376.1090889
Monoisotopic Mass376.1090889
Topological Polar Surface Area73.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
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

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Alternative Products

CatalogName
T203025-01ERK2 IN-5
GTR18454040ERK2 Rabbit Polyclonal Antibody (Cy5.5)
M1407-3ERK2 Mouse Monoclonal Antibody [5-D2]
bsm-52068R-Cy5.5ERK2 Recombinant Antibody, Cy5.5 Conjugated
bs-24463R-Cy5.5ERK2 Polyclonal Antibody, Cy5.5 Conjugated
NBP3-32317Mouse Monoclonal ERK2 Antibody (5-D2-R)
bsm-52068R-PE-Cy5.5ERK2 Recombinant Antibody, PE-Cy5.5 Conjugated
GTR18454053ERK2 Rabbit Polyclonal Antibody (APC-Cy5.5)
bsm-52068R-APC-Cy5.5ERK2 Recombinant Antibody, APC-Cy5.5 Conjugated
GTR18630644ERK2 Rabbit pAb, PE-Cy5.5 conjugated

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