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MK8457

CAT: 0931-T202446-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202446-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1312518-85-6
Bioactivity
MK8457 is a dual inhibitor targeting both SYK and ZAP70.
Smiles
O[C@@]1(CC(C)(C)[C@H](C(O)=O)CC1)C=2SC(=CN2)C3=CC(NC=4N=C(C(F)(F)F)C=CN4)=CC(C)=C3
Molecular Formula
C24H25F3N4O3S
Molecular Weight
506.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,4S)-4-hydroxy-2,2-dimethyl-4-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]cyclohexanecarboxylic acid
CAS Number1312518-85-6
PubChem CID53251507
IUPAC Namecis-(1R,4S)-4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
Molecular FormulaC24H25F3N4O3S
Molecular Weight506.5
XLogP4.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity773
SMILES
CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(S3)[C@@]4(CC[C@H](C(C4)(C)C)C(=O)O)O
InChI
InChI=1S/C24H25F3N4O3S/c1-13-8-14(10-15(9-13)30-21-28-7-5-18(31-21)24(25,26)27)17-11-29-20(35-17)23(34)6-4-16(19(32)33)22(2,3)12-23/h5,7-11,16,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)/t16-,23-/m0/s1
InChIKey
LDDBKIFZPGDEND-HJPURHCSSA-N
Chemical Structure
2D Structure
2D structure of (1R,4S)-4-hydroxy-2,2-dimethyl-4-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]cyclohexanecarboxylic acid
CAS: 1312518-85-6
CID: 53251507
Formula: C24H25F3N4O3S
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass506.15994633
Monoisotopic Mass506.15994633
Topological Polar Surface Area136 Ų
Heavy Atom Count35
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19242103-01MK8457

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