LDE-225 diphosphate

Alternative_name

N-(6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide diphosphate; Sonidegib; Erismodegib; NVP-LDE225 diphosphate
Description

LDE-225 diphosphate is the phosphate analog of Smoothened (Smo) antagonist LDE-225 (Cat. No. 2892).
CAS Number

1218778-77-8
Structure Available

Yes
Salt Form

No
Molecular Formula

C₂₆H₃₂F₃N₃O₁₁P₂
Molecular Weight

681.49
Cell Permeable

yes
Purity

≥98% by HPLC
Solubilities

DMSO (~10 mg/ml)
Handling

Protect from air and moisture
Tag Line

A potent and selective Smoothened (Smo) antagonist
Storage Condition

-20°C
Shipping Condition

gel pack
Shelf Life

36 months
PubChem CID

45138699
PubChem CID Link
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.OP(=O)(O)O.OP(=O)(O)O
InChi

InChI=1S/C26H26F3N3O3.2H3O4P/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;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;;
InChi Key

RWIVSVMMGFFZIJ-VWDRLOGHSA-N
Data Sheet Link
MSDS Available

Yes

Identity

HGNC:3413
Gene

EPM2A
Long gene name

EPM2A glucan phosphatase, laforin
Synonyms gene name
- epilepsy, progressive myoclonus type 2, Lafora disease (laforin)
- epilepsy, progressive myoclonus type 2A, Lafora disease (laforin)
- EPM2A, laforin glucan phosphatase
Synonyms
- LDE
- LD
GenBank acession
- AF284580
Locus

6q24.3
Discovery year

1998-10-01
Entrez gene record

7957
Pubmed identfication
- 9222970
- 7485240
Classification
- Atypical dual specificity phosphatases
VEGA ID

OTTHUMG00000015747