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CDK9/CycT1-IN-93

CAT: 0931-T70400-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70400-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1606169-44-1
Target
Others
Related Pathways
Others
Bioactivity
CDK9/CycT1-IN-93 is a highly specific, ATP-competitive inhibitor of CDK9/CycT1 with antiviral activity.
Smiles
O(CC1=CC=CC=C1)C2=C(C=CC=C2)C=3C=C(NC4=CC(CP(CCC)(=O)O)=CC=C4)N=CN3
Molecular Formula
C27H28N3O3P
Molecular Weight
473.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[3-[[6-(2-Benzyloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl-propyl-phosphinic acid
CAS Number1606169-44-1
PubChem CID86580300
IUPAC Name[3-[[6-(2-phenylmethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl-propylphosphinic acid
Molecular FormulaC27H28N3O3P
Molecular Weight473.5
XLogP4.6
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity645
SMILES
CCCP(=O)(CC1=CC(=CC=C1)NC2=NC=NC(=C2)C3=CC=CC=C3OCC4=CC=CC=C4)O
InChI
InChI=1S/C27H28N3O3P/c1-2-15-34(31,32)19-22-11-8-12-23(16-22)30-27-17-25(28-20-29-27)24-13-6-7-14-26(24)33-18-21-9-4-3-5-10-21/h3-14,16-17,20H,2,15,18-19H2,1H3,(H,31,32)(H,28,29,30)
InChIKey
IIZHHHNHDPJHJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [3-[[6-(2-Benzyloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl-propyl-phosphinic acid
CAS: 1606169-44-1
CID: 86580300
Formula: C27H28N3O3P
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass473.18682876
Monoisotopic Mass473.18682876
Topological Polar Surface Area84.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity645
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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