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INE963

CAT: 0931-T9741-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9741-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2640567-43-5
Target
Haspin Kinase, Parasite, FLT, Others
Related Pathways
Tyrosine Kinase/Adaptors, Others, Angiogenesis, Cell Cycle/Checkpoint, Microbiology/Virology
Purity
0.9945
Bioactivity
INE963 demonstrates potent cellular activity against Pf 3D7 (EC50 = 6 nM) and achieves "artemisinin-like" kill kinetics in vitro with a parasite clearance time of <24 h. INE963 is also potent against P. falciparum and P. vivax clinical isolates from Brazil and Uganda with EC50's ranging from 0.01 to 7.0 nM
Smiles
COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C
Molecular Formula
C19H26N6O2S
Molecular Weight
402.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ine-963
CAS Number2640567-43-5
PubChem CID156274257
IUPAC Name4-(aminomethyl)-1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol
Molecular FormulaC19H26N6O2S
Molecular Weight402.5
XLogP2.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity533
SMILES
CC(C)C1=NC(=C(C=C1)C2=CN=C3N2N=C(S3)N4CCC(CC4)(CN)O)OC
InChI
InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3
InChIKey
JYHSRMKXBAPFST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ine-963
CAS: 2640567-43-5
CID: 156274257
Formula: C19H26N6O2S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass402.18379527
Monoisotopic Mass402.18379527
Topological Polar Surface Area130 Ų
Heavy Atom Count28
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2077-25INE963

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