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Adavivint (SM04690)

CAT: 0957-S8761-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8761-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1467093-03-3
Synonyms
Lorecivivint
Target
Wnt/beta-catenin
Applications
Cytoskeletal Signaling
Smiles
CC (C) CC (=O) NC1=CN=CC (=C1) C2=CC3=C (C=C2) NN=C3C4=NC5=C (N4) C=NC=C5C6=CC (=CC=C6) F
Molecular Formula
C29H24FN7O
Additionnal Information
Adavivint (SM04690, Lorecivivint) is a potent and specific inhibitor of canonical Wnt signaling with an EC50 of 19.5 nM for inhibiting the TCF/LEF reporter. It is ∼150- to 500-fold more potent than the other known Wnt inhibitors across multiple cellular assays.
Storage Conditions
3 years -20°C powder

Chemical Information

Lorecivivint

Lorecivivint is under investigation in clinical trial NCT03246399 (A Study of the Safety, Tolerability, and Pharmacokinetics of SM04690 Injectable Suspension Following Single Intradiscal Injection in Subjects With Degenerative Disc Disease).

CAS Number1467093-03-3
PubChem CID135565709
IUPAC NameN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
Molecular FormulaC29H24FN7O
Molecular Weight505.5
XLogP4.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity816
SMILES
CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F
InChI
InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
InChIKey
AQDWDWAYVBQMAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lorecivivint
CAS: 1467093-03-3
CID: 135565709
Formula: C29H24FN7O
MW: 505.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.5
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass505.20263658
Monoisotopic Mass505.20263658
Topological Polar Surface Area112 Ų
Heavy Atom Count38
Formal Charge0
Complexity816
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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