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CDDD11-8

CAT: 0804-HY-162037-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162037-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDDD11-8 is an orally active, potent and selective inhibitor of CDK9 and FLT3-ITD, with Ki values of 8 and 13 nM, respectively. CDDD11-8 reduces the proliferation of leukemia cell lines and was particularly effective against those harboring FLT3-ITD mutation[1][2].
CAS Number
2241659-94-7
UNSPSC
12352005
Target
CDK; FLT3
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cddd11-8.html
Purity
99.62
Solubility
10 mM in DMSO
Smiles
CC1=CN=C(N[C@@H]2CC[C@@H](N)CC2)N=C1C3=CN=C(C=C4)N3C=C4C5=CC=CC=C5
Molecular Formula
C24H26N6
Molecular Weight
398.50
References & Citations
[1]Anshabo AT, et al. An Orally Bioavailable and Highly Efficacious Inhibitor of CDK9/FLT3 for the Treatment of Acute Myeloid Leukemia. Cancers (Basel) . 2022 Feb 22;14 (5) :1113.|[2]Mustafa EH, et al. Selective inhibition of CDK9 in triple negative breast cancer. Oncogene. 2023 Nov 24.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK9

Chemical Information

4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CAS Number2241659-94-7
PubChem CID135301300
IUPAC Name4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
Molecular FormulaC24H26N6
Molecular Weight398.5
XLogP4.4
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity544
SMILES
CC1=CN=C(N=C1C2=CN=C3N2C=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N
InChI
InChI=1S/C24H26N6/c1-16-13-27-24(28-20-10-8-19(25)9-11-20)29-23(16)21-14-26-22-12-7-18(15-30(21)22)17-5-3-2-4-6-17/h2-7,12-15,19-20H,8-11,25H2,1H3,(H,27,28,29)
InChIKey
OVOYRPVIZNJKHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CAS: 2241659-94-7
CID: 135301300
Formula: C24H26N6
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass398.22189485
Monoisotopic Mass398.22189485
Topological Polar Surface Area81.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity544
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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