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TAK-659 25mg

CAT: 0628-A20450-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20450-25Size:25 mg
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CAS Number
1312691-33-0

Chemical Information

Mivavotinib

Mivavotinib is an inhibitor of spleen tyrosine kinase (syk), with potential anti-inflammatory, immunomodulating, and antineoplastic activities. Upon administration, mivavotinib may inhibit the activity of syk, which abrogates downstream B-cell receptor (BCR) signaling and leads to an inhibition of B-cell activation, chemotaxis, adhesion and proliferation. Syk, a BCR-associated non-receptor tyrosine kinase that mediates diverse cellular responses, including proliferation, differentiation, and phagocytosis, is expressed in hematopoietic tissues and is often overexpressed in hematopoietic malignancies.

CAS Number1312691-33-0
PubChem CID53252276
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
Molecular FormulaC17H21FN6O
Molecular Weight344.4
XLogP0.5
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity508
SMILES
CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N
InChI
InChI=1S/C17H21FN6O/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)/t11-,12+/m0/s1
InChIKey
MJHOMTRKVMKCNE-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of Mivavotinib
CAS: 1312691-33-0
CID: 53252276
Formula: C17H21FN6O
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass344.17608748
Monoisotopic Mass344.17608748
Topological Polar Surface Area97.9 Ų
Heavy Atom Count25
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 Count1
Compound Is CanonicalizedYes