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MK2-IN-4

CAT: 0931-T62110-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62110-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1105658-32-9
Target
Others, MAPK
Related Pathways
MAPK, Others
Bioactivity
MK2-IN-4, a MAPKAPK2 (MK2) inhibitor with an IC50 of 45 nM, can be used in cancer, inflammation, and immunology studies.
Smiles
O=C1C2=C(C3(CC3)CN1)NC4=C2CCC=5C4=CC(=NC5)C=6C=C7C(=CC6)N(C)CCO7
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4'-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5',13',17'-triazaspiro(cyclopropane-1,15'-tetracyclo(8.7.0.0^(2,7).0^(11,16))heptadecane)-1'(10'),2'(7'),3',5',11'(16')-pentaen-12'-one
CAS Number1105658-32-9
PubChem CID59558736
IUPAC Name4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP2.8
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity741
SMILES
CN1CCOC2=C1C=CC(=C2)C3=NC=C4CCC5=C(C4=C3)NC6=C5C(=O)NCC67CC7
InChI
InChI=1S/C25H24N4O2/c1-29-8-9-31-20-10-14(3-5-19(20)29)18-11-17-15(12-26-18)2-4-16-21-23(28-22(16)17)25(6-7-25)13-27-24(21)30/h3,5,10-12,28H,2,4,6-9,13H2,1H3,(H,27,30)
InChIKey
HYWDWAXZNWIOQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-5',13',17'-triazaspiro(cyclopropane-1,15'-tetracyclo(8.7.0.0^(2,7).0^(11,16))heptadecane)-1'(10'),2'(7'),3',5',11'(16')-pentaen-12'-one
CAS: 1105658-32-9
CID: 59558736
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area70.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity741
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

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MBS5804799MK2-IN-4
MBS3614353-01MK2-IN-3
ABC-TC0593LLC-MK2
MBS131247-01MK2-IN-1
MBS5823435MK2-IN-5
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