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DS21360717

CAT: 0931-T11104-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11104-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2304654-43-9
Target
Others, EGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, Others, JAK/STAT signaling
Bioactivity
DS21360717 is an effective oral tyrosine kinase inhibitor with anticancer activity and IC50 of 0.49 nM.
Smiles
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3cn[nH]c(=O)c23)c1
Molecular Formula
C21H23N7O
Molecular Weight
389.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-(((1R,2S)-2-Aminocyclohexyl)amino)-4-oxo-5-(m-tolylamino)-3,4-dihydropyrido[3,4-d]pyridazine-8-carbonitrile
CAS Number2304654-43-9
PubChem CID138393287
IUPAC Name7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-4-oxo-3H-pyrido[3,4-d]pyridazine-8-carbonitrile
Molecular FormulaC21H23N7O
Molecular Weight389.5
XLogP3.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity673
SMILES
CC1=CC(=CC=C1)NC2=C3C(=C(C(=N2)N[C@@H]4CCCC[C@@H]4N)C#N)C=NNC3=O
InChI
InChI=1S/C21H23N7O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-28-21(18)29)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,11,16-17H,2-3,7-8,23H2,1H3,(H,28,29)(H2,25,26,27)/t16-,17+/m0/s1
InChIKey
VFVLUXBYMUKJIJ-DLBZAZTESA-N
Chemical Structure
2D Structure
2D structure of 7-(((1R,2S)-2-Aminocyclohexyl)amino)-4-oxo-5-(m-tolylamino)-3,4-dihydropyrido[3,4-d]pyridazine-8-carbonitrile
CAS: 2304654-43-9
CID: 138393287
Formula: C21H23N7O
MW: 389.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass389.19640838
Monoisotopic Mass389.19640838
Topological Polar Surface Area128 Ų
Heavy Atom Count29
Formal Charge0
Complexity673
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

Alternative Products

CatalogName
MBS5766538DS21360717
A18500-5DS21360717 5mg
A18500-25DS21360717 25mg
A18500-100DS21360717 100mg
A18500-10DS21360717 10mg
A18500-50DS21360717 50mg

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