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AS601245

CAT: 0931-T2343-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T2343-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345987-15-7
Target
JNK
Related Pathways
MAPK
Purity
0.9902
Bioactivity
AS601245 is an inhibitor of the c-Jun NH2-terminal kinase (JNK), with neuroprotective properties.
Smiles
N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
Molecular Formula
C20H16N6S
Molecular Weight
372.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile

2-(1,3-benzothiazol-2-yl)-2-[2-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile is a member of benzothiazoles.

CAS Number345987-15-7
PubChem CID10109823
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]acetonitrile
Molecular FormulaC20H16N6S
Molecular Weight372.4
XLogP3.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity522
SMILES
C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4
InChI
InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
InChIKey
RCYPVQCPYKNSTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CAS: 345987-15-7
CID: 10109823
Formula: C20H16N6S
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass372.11571571
Monoisotopic Mass372.11571571
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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