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CDD-1115

CAT: 0013-GTR19250024-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250024-01Size:10 mg
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Description
CDD-1115 is a highly potent and selective BMPR2 inhibitor (IC50 = 1.8 nM) that effectively blocks BMP-mediated signaling and gene expression. This tool compound is valuable for studying BMP pathways in renal, musculoskeletal, and cardiovascular research, both in vitro and in vivo, to investigate processes like ectopic bone formation.
CAS Number
3034215-86-3
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
C (NCC1=CC (C (N) =O) =CC=C1) (=O) C=2C=C3N (C (=NC3=CC2) C4=CC5=C (C=C4) C=NC=C5) [C@H]6C[C@H] (C (NC) =O) CC6
Molecular Formula
C32H30N6O3
Molecular Weight
546.619
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(3-carbamoylphenyl)methyl]-2-isoquinolin-6-yl-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide
CAS Number3034215-86-3
PubChem CID171849384
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-isoquinolin-6-yl-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide
Molecular FormulaC32H30N6O3
Molecular Weight546.6
XLogP3
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity962
SMILES
CNC(=O)[C@@H]1CC[C@H](C1)N2C3=C(C=CC(=C3)C(=O)NCC4=CC(=CC=C4)C(=O)N)N=C2C5=CC6=C(C=C5)C=NC=C6
InChI
InChI=1S/C32H30N6O3/c1-34-31(40)23-7-9-26(15-23)38-28-16-24(32(41)36-17-19-3-2-4-21(13-19)29(33)39)8-10-27(28)37-30(38)22-5-6-25-18-35-12-11-20(25)14-22/h2-6,8,10-14,16,18,23,26H,7,9,15,17H2,1H3,(H2,33,39)(H,34,40)(H,36,41)/t23-,26-/m1/s1
InChIKey
UOCCUBNXBUXTNS-ZEQKJWHPSA-N
Chemical Structure
2D Structure
2D structure of N-[(3-carbamoylphenyl)methyl]-2-isoquinolin-6-yl-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide
CAS: 3034215-86-3
CID: 171849384
Formula: C32H30N6O3
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass546.23793884
Monoisotopic Mass546.23793884
Topological Polar Surface Area132 Ų
Heavy Atom Count41
Formal Charge0
Complexity962
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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