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TAK-659 Hydrochloride

CAT: 0957-S8442-2mgSize: 2 mgDry Ice: YesHazardous: No
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CAT#:0957-S8442-2mgSize:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1952251-28-3
Target
Syk
Applications
Protein Tyrosine Kinase
Smiles
CN1C=C (C=N1) C2=NC (=C (C3=C2C (=O) NC3) F) NC4CCCCC4N.Cl
Molecular Formula
C17H21FN6 .HCl
Additionnal Information
TAK-659 Hydrochloride is a potent and selective inhibitor of spleen tyrosine kinase (SYK) with an IC50 value of 3.2 nM. It is selective against most other kinases, but potent toward both SYK and FLT3.
Storage Conditions
2 years -80 in solvent

Chemical Information

TAK-659 Hydrochloride
CAS Number1952251-28-3
PubChem CID129626432
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;hydrochloride
Molecular FormulaC17H22ClFN6O
Molecular Weight380.8
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N.Cl
InChI
InChI=1S/C17H21FN6O.ClH/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19;/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23);1H/t11-,12+;/m0./s1
InChIKey
PTCFBXMEFRIEGV-ZVWHLABXSA-N
Chemical Structure
2D Structure
2D structure of TAK-659 Hydrochloride
CAS: 1952251-28-3
CID: 129626432
Formula: C17H22ClFN6O
MW: 380.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass380.1527652
Monoisotopic Mass380.1527652
Topological Polar Surface Area97.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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