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A09-003

CAT: 0931-T79404-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T79404-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2911646-14-3
Target
Bcl-2 Family, Apoptosis, CDK
Related Pathways
Cell Cycle/Checkpoint, Apoptosis
Purity
0.9984
Bioactivity
A09-003 is a novel cell cycle protein-dependent kinase-9 CDK-9 inhibitor.A09-003 inhibits the proliferation of a variety of leukemia cell lines and inhibits the increase of leukemia sequence-1 protein in myeloid cells.A09-003 also induces apoptosis, decreases RNA polymerase II activity, and decreases Mcl-1 expression.
Smiles
N=1C=CC(=CC1NC2=CC=CC(=C2)N3CCNCCC3)C=4C=CC=CC4OC
Molecular Formula
C23H26N4O
Molecular Weight
374.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-(1,4-diazepan-1-yl)phenyl]-4-(2-methoxyphenyl)pyridin-2-amine
CAS Number2911646-14-3
PubChem CID166172624
IUPAC NameN-[3-(1,4-diazepan-1-yl)phenyl]-4-(2-methoxyphenyl)pyridin-2-amine
Molecular FormulaC23H26N4O
Molecular Weight374.5
XLogP4.1
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity462
SMILES
COC1=CC=CC=C1C2=CC(=NC=C2)NC3=CC(=CC=C3)N4CCCNCC4
InChI
InChI=1S/C23H26N4O/c1-28-22-9-3-2-8-21(22)18-10-12-25-23(16-18)26-19-6-4-7-20(17-19)27-14-5-11-24-13-15-27/h2-4,6-10,12,16-17,24H,5,11,13-15H2,1H3,(H,25,26)
InChIKey
VPUDUHFHZJGMMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(1,4-diazepan-1-yl)phenyl]-4-(2-methoxyphenyl)pyridin-2-amine
CAS: 2911646-14-3
CID: 166172624
Formula: C23H26N4O
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass374.21066147
Monoisotopic Mass374.21066147
Topological Polar Surface Area49.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity462
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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