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TAK-659 hydrochloride

CAT: 0013-GTR19169041-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169041-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TAK-659 is a highly potent and selective SYK inhibitor (IC50 = 3.2 nM) with additional activity against FLT3. It is a valuable research tool for investigating B-cell receptor signaling and hematological malignancies in both cellular and animal models.
CAS Number
1952251-28-3
Product Name Alternative
FLT3, Fms like tyrosine kinase 3, fms, JAK3, CLL, Cluster of differentiation antigen 135, CD135, Syk, TAK 659, TAK659, TAK-659 Hydrochloride, Spleen, ZAP70, Tyrosine Kinases, TyrosineKinases, VEGFR2
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.28% (May vary between batches)
Solubility
DMSO:1 mg/mL (2.63 mM)
Smiles
Cl.Cn1cc (cn1) -c1nc (N[C@@H]2CCCC[C@@H]2N) c (F) c2CNC (=O) c12
Molecular Formula
C17H22ClFN6O
Molecular Weight
380.85
Storage Conditions
-20°C
Notes
For research use only.

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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