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AS 602801

CAT: 1410-M17611-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17611-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AS 602801 (Bentamapimod) is a novel, orally active inhibitor of JNK.
CAS Number
848344-36-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
457.55
Molecular Formula
C25H23N5O2S
Notes
Research use only, not for human use.
Receptor
JNK1| JNK2| JNK3

Chemical Information

Bentamapimod

a c-Jun amino-terminal kinase inhibitor

CAS Number848344-36-5
PubChem CID10195250
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile
Molecular FormulaC25H23N5O2S
Molecular Weight457.5
XLogP3.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity660
SMILES
C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4
InChI
InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2
InChIKey
XCPPIJCBCWUBNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bentamapimod
CAS: 848344-36-5
CID: 10195250
Formula: C25H23N5O2S
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass457.15724617
Monoisotopic Mass457.15724617
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity660
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

Alternative Products

CatalogName
MBS3607605-01AS 602801
BISN0167AS-602801
A11296-5AS 602801 5mg
A11296-50AS 602801 50mg
MBS384236-01AS 602801 (Bentamapimod)
A11296-10AS 602801 10mg
A11296-2AS 602801 (Bentamapimod) 2mg
A11296-1000AS 602801 (Bentamapimod) 1g
A11296-100AS 602801 (Bentamapimod) 100mg
A11296-2000AS 602801 (Bentamapimod) 2g

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