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CDD-1653

CAT: 0931-T88619-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88619-02Size:50 mg
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CAS Number
3034216-44-6
Target
TGF-beta/Smad
Related Pathways
Stem Cells
Bioactivity
CDD-1653 is a potent BMPR2 selective inhibitor with an IC50 of 2.8 nM. It acts by inhibiting the binding of ATP to the kinase domain of BMPR2, thereby affecting the phosphorylation of the transcription factors SMAD1/5/8, which play a crucial role in the BMP signaling pathway. CDD-1653 is utilized in research related to diseases associated with the BMP signaling pathway.
Smiles
O=C1N(C=2C=CC=CC2)CCN(C3=NC(=NC=C3OC)NC4=CC=CC(=C4)S(=O)(=O)N)C1
Molecular Formula
C21H22N6O4S
Molecular Weight
454.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 167312383
CAS Number3034216-44-6
PubChem CID167312383
IUPAC Name3-[[5-methoxy-4-(3-oxo-4-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
Molecular FormulaC21H22N6O4S
Molecular Weight454.5
XLogP1.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity741
SMILES
COC1=CN=C(N=C1N2CCN(C(=O)C2)C3=CC=CC=C3)NC4=CC(=CC=C4)S(=O)(=O)N
InChI
InChI=1S/C21H22N6O4S/c1-31-18-13-23-21(24-15-6-5-9-17(12-15)32(22,29)30)25-20(18)26-10-11-27(19(28)14-26)16-7-3-2-4-8-16/h2-9,12-13H,10-11,14H2,1H3,(H2,22,29,30)(H,23,24,25)
InChIKey
MHMPZSOMHQSWEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 167312383
CAS: 3034216-44-6
CID: 167312383
Formula: C21H22N6O4S
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass454.14232438
Monoisotopic Mass454.14232438
Topological Polar Surface Area139 Ų
Heavy Atom Count32
Formal Charge0
Complexity741
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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