MK8457

CAT: 0931-T202446-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202446-02Size:50 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 Number	1312518-85-6
PubChem CID	53251507
IUPAC Name	cis-(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 Formula	C24H25F3N4O3S
Molecular Weight	506.5
XLogP	4.6
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	773

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

CAS: 1312518-85-6

CID: 53251507

Formula: C24H25F3N4O3S

MW: 506.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	506.5
XLogP3	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	506.15994633
Monoisotopic Mass	506.15994633
Topological Polar Surface Area	136 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	773
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19242103-01	MK8457

MK8457

Chemical Information

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