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KDU731

CAT: 0931-T15651-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T15651-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1610610-48-4
Target
Others, PI4K, Parasite
Related Pathways
Others, PI3K/Akt/mTOR signaling, Microbiology/Virology
Bioactivity
KDU731 is a promising drug candidate for the treatment of diarrhea caused by Cryptosporidium and meets a broad range of safety. KDU731is an orally active C. parvum inhibitor of PI4K (IC50: 25 nM) . KDU731 blocks Cryptosporidium infection in vitro and in vivo.
Smiles
CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(cn1)C#N
Molecular Formula
C22H16N6O2
Molecular Weight
396.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-carbamoylphenyl)-N-(5-cyanopyridin-2-yl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CAS Number1610610-48-4
PubChem CID76281701
IUPAC Name3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
Molecular FormulaC22H16N6O2
Molecular Weight396.4
XLogP1.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity697
SMILES
CN(C1=NC=C(C=C1)C#N)C(=O)C2=CC3=C(C=NN3C=C2)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C22H16N6O2/c1-27(20-7-2-14(11-23)12-25-20)22(30)17-8-9-28-19(10-17)18(13-26-28)15-3-5-16(6-4-15)21(24)29/h2-10,12-13H,1H3,(H2,24,29)
InChIKey
YTIYJNWWLQSAAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-carbamoylphenyl)-N-(5-cyanopyridin-2-yl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CAS: 1610610-48-4
CID: 76281701
Formula: C22H16N6O2
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass396.13347377
Monoisotopic Mass396.13347377
Topological Polar Surface Area117 Ų
Heavy Atom Count30
Formal Charge0
Complexity697
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

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MBS3602327-01KDU731
A20301-50KDU731 50mg
A20301-10KDU731 10mg
A20301-100KDU731 100mg
A20301-1KDU731 1mg
A20301-25KDU731 25mg
A20301-5KDU731 5mg

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