Sonidegib

CAT: 1568-C08313-01Size: 5 mgDry Ice: YesHazardous: No

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CAT#:1568-C08313-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

956697-53-3

Synonyms

NVP-LDE225, Erismodegib

SKU

C08313-5mg

Target

Hedgehog/Smoothened

Applications

Stem Cells & Wnt

Smiles

CC1CN (CC (O1) C) C2=NC=C (C=C2) NC (=O) C3=CC=CC (=C3C) C4=CC=C (C=C4) OC (F) (F) F

Molecular Formula

C26H26F3N3O3

Additionnal Information

Sonidegib is a Smoothened (Smo) antagonist, inhibiting Hedgehog (Hh) signaling with IC50 of 1.3 nM (mouse) and 2.5 nM (human) in cell-free assays, respectively. Phase 3.

Storage Conditions

2 years -80 in solvent

Chemical Information

Sonidegib

Sonidegib is a member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent and a SMO receptor antagonist. It is a member of benzamides, a member of biphenyls, an aromatic ether, an organofluorine compound, an aminopyridine, a member of morpholines and a tertiary amino compound.

CAS Number	956697-53-3
PubChem CID	24775005
IUPAC Name	N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
Molecular Formula	C26H26F3N3O3
Molecular Weight	485.5
XLogP	5.8
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	691

SMILES

C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+

InChIKey

VZZJRYRQSPEMTK-CALCHBBNSA-N

Chemical Structure

2D Structure

CAS: 956697-53-3

CID: 24775005

Formula: C26H26F3N3O3

MW: 485.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	485.5
XLogP3	5.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	485.19262619
Monoisotopic Mass	485.19262619
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	691
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-16582A-01	Sonidegib
BUP06240-01	Sonidegib diphosphate
100942	Sonidegib phosphate
HY-16582AS	Sonidegib-d4
CS-O-32605	Sonidegib M48
HY-16582AR-01	Sonidegib (Standard)
HY-16582-01	Sonidegib (diphosphate)
ENZ-CHM238-0025	Sonidegib (free base)
GTR19209812-01	Sonidegib metabolite M25

Sonidegib

Chemical Information

Alternative Products

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