ERK-IN-2 free base

CAT: 0931-T72517-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T72517-01Size:25 mg

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CAS Number

2743576-55-6

Target

ERK, Others

Related Pathways

MAPK, Others

Bioactivity

ERK-IN-2 free base, an inhibitor of ERK2, demonstrates potent efficacy with an IC50 value of 1.8 nM. However, doses exceeding 10 μM may result in off-target toxicity and/or activity.

Smiles

C(O)C1=C2C(=CC(NC(N[C@H](C)C3=CC=CC=C3)=O)=N1)NN=C2

Molecular Formula

C16H17N5O2

Molecular Weight

311.34

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ERK-IN-2 (free base)

CAS Number	2743576-55-6
PubChem CID	145925680
IUPAC Name	1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
Molecular Formula	C16H17N5O2
Molecular Weight	311.34
XLogP	0.9
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	402

SMILES

C[C@H](C1=CC=CC=C1)NC(=O)NC2=NC(=C3C=NNC3=C2)CO

InChI

InChI=1S/C16H17N5O2/c1-10(11-5-3-2-4-6-11)18-16(23)20-15-7-13-12(8-17-21-13)14(9-22)19-15/h2-8,10,22H,9H2,1H3,(H,17,21)(H2,18,19,20,23)/t10-/m1/s1

InChIKey

RAXZSEGXMBWYQK-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 2743576-55-6

CID: 145925680

Formula: C16H17N5O2

MW: 311.34

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	311.34
XLogP3	0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	311.13822480
Monoisotopic Mass	311.13822480
Topological Polar Surface Area	103 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	402
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5814879	ERK-IN-2 free base
HY-133084A	ERK-IN-2 (free base)
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HY-W783268	Matriptase-IN-2 (free base)
D3185-01-01	2’-Deoxycytidine Free Base
MBS3612646-01	I-37 free base(2359690-13-2(free base))
MBS5759495-01	I-37 free base (2359690-13-2(free base))
GTR19320202-01	I-37 free base (2359690-13-2 (free base) )
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ERK-IN-2 free base

Chemical Information

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