LDE-225 二磷酸盐

Description

LDE-225 Diphosphate · CAS 1218778-77-8 · C26H26F3N3O3. UNII 0RLU3VTK5M.

Identification

CAS Registry Number	1218778-77-8
PubChem CID	24775005
Molecular formula	C26H26F3N3O3
IUPAC name	N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
UNII (FDA)	0RLU3VTK5M

Computed Descriptors

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
Heavy Atom Count	35
Formal Charge	0

Physical description & handling notes

• Sonidegib has been shown to inhibit a transmembrane protein called SMO which plays a role in Hh signal transduction. This has resulted in inhibition of Hh signaling as well as antitumour activity in various animal models. In a transgenic mouse model of islet cell neoplasms, tumour volume was reduce by 95% in mice treated with sonidegib when compared with untreated mice. (2)

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (100%), H319 (100%), H335 (100%)

Documented Uses

• Sonidegib is approved for use in the US and EU for treatment of adults with locally advanced basal cell carcinoma (BCC) that has recurred post surgery or radiation therapy. It is also approved for adult patients with BCC who are not eligible for surgery or radiation therapy. (2)
• Sonidegib is a small molecule kinase inhibitor that blocks signaling in the hedgehog pathway and is used in the therapy of unresectable or metastatic basal cell carcinoma. Sonidegib therapy is associated with a low rate or transient serum aminotransferase elevations during therapy, but has not been linked to instances of clinically apparent acute liver injury.
• Breast Feeding; Lactation; Antineoplastic Agents; Enzyme Inhibitors; Hedgehog Pathway Inhibitors; Signal Transduction Inhibitors;
• Sonidegib is approved to treat:
• • Basal cell carcinoma that is locally advanced. It is used in adults whose disease has recurred (come back) after surgery or radiation therapy or who cannot be treated with surgery or radiation therapy.
• Sonidegib is also being studied in the treatment of other types of cancer.

Synonyms

Erismodegib; Sonidegib; 956697-53-3; LDE225; NVP-LDE225; LDE-225; LDE 225; NVP-LDE 225; sonidegibum; 0RLU3VTK5M; NVP-LDE-225; CHEBI:90863; DTXSID501009335; N-(6-((cis-2,6-Dimethylmorpholin-4-yl)-3-pyridyl)-2-methyl-3-(4-(trifluoromethoxy)phenyl)benzamide; N-(6-((2R,6S)-2,6-Dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide; N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide

Frequently Asked Questions

What are the CAS number and molecular formula of LDE-225 Diphosphate?

CAS 1218778-77-8; molecular formula C26H26F3N3O3; molecular weight — g/mol.

What other names is LDE-225 Diphosphate known by?

Erismodegib, Sonidegib, 956697-53-3, LDE225, NVP-LDE225, LDE-225.

Is LDE-225 Diphosphate classified as hazardous?

Hazard statements reported: H302, H315, H319, H335.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.