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CDD-1431

CAT: 0013-GTR19249583-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249583-02Size:10 mg
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Description
CDD-1431 is a potent and selective BMPR2 kinase inhibitor (Kiapp = 20.6 nM) that blocks BMP signaling, as shown by its inhibition of a BRE-luciferase reporter (IC50 = 4.87 μM) . This tool compound is useful for studying BMP pathway roles in renal, musculoskeletal, cardiac, and reproductive biology, as well as heterotopic ossification, in both cellular and animal models.
CAS Number
3034216-31-1
Field of Research
Stem Cell & Developmental Biology
Smiles
O=C (NCC=1C=CC=C (C1) N2CCN (C3=NC (=NC=C3OC) NC4=CC=CC (=C4) S (=O) (=O) N) CC2) C5=CC=C (C=C5) CCC (=O) NC
Molecular Formula
C33H38N8O5S
Molecular Weight
658.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 171849409
CAS Number3034216-31-1
PubChem CID171849409
IUPAC NameN-[[3-[4-[5-methoxy-2-(3-sulfamoylanilino)pyrimidin-4-yl]piperazin-1-yl]phenyl]methyl]-4-[3-(methylamino)-3-oxopropyl]benzamide
Molecular FormulaC33H38N8O5S
Molecular Weight658.8
XLogP2.9
Topological Polar Surface Area180
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count47
Formal Charge0
Complexity1110
SMILES
CNC(=O)CCC1=CC=C(C=C1)C(=O)NCC2=CC(=CC=C2)N3CCN(CC3)C4=NC(=NC=C4OC)NC5=CC(=CC=C5)S(=O)(=O)N
InChI
InChI=1S/C33H38N8O5S/c1-35-30(42)14-11-23-9-12-25(13-10-23)32(43)36-21-24-5-3-7-27(19-24)40-15-17-41(18-16-40)31-29(46-2)22-37-33(39-31)38-26-6-4-8-28(20-26)47(34,44)45/h3-10,12-13,19-20,22H,11,14-18,21H2,1-2H3,(H,35,42)(H,36,43)(H2,34,44,45)(H,37,38,39)
InChIKey
HSNLCCKRVCPONE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 171849409
CAS: 3034216-31-1
CID: 171849409
Formula: C33H38N8O5S
MW: 658.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight658.8
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass658.26858752
Monoisotopic Mass658.26858752
Topological Polar Surface Area180 Ų
Heavy Atom Count47
Formal Charge0
Complexity1110
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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