ELND-006

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H14F5N3O2S
Molecular Weight	455.401
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC1=CC2=C(C=C1F)C3=C(C=NN3)[C@@H](C4CC4)N2S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChIKey=XODSHWXKSMPDRP-LJQANCHMSA-N

InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H14F5N3O2S
Molecular Weight	455.401
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
ACS chemical neuroscience molecule spotlight on ELND006: another γ-secretase inhibitor fails in the clinic.	2011 Jun 15	22778871
Discovery of (R)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline (ELND006) and (R)-4-cyclopropyl-8-fluoro-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline (ELND007): metabolically stable γ-secretase Inhibitors that selectively inhibit the production of amyloid-β over Notch.	2013 Jul 11	23713656

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:15:56 GMT 2023` Edited by `admin` on `Fri Dec 15 15:15:56 GMT 2023`
Record UNII	7F5QGV49GL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ELND-006

Common Name

English

ELND006

Code

English

1H-PYRAZOLO(4,3-C)QUINOLINE, 4-CYCLOPROPYL-7,8-DIFLUORO-4,5-DIHYDRO-5-((4-(TRIFLUOROMETHYL)PHENYL)SULFONYL)-, (4R)-

Systematic Name

English

(R)-4-CYCLOPROPYL-7,8-DIFLUORO-5-(4-(TRIFLUOROMETHYL)PHENYLSULFONYL)-4,5-DIHYDRO-1H-PYRAZOLO(4,3-C)QUINOLINE

Systematic Name

English

Code System Code Type Description

FDA UNII

7F5QGV49GL

Created by admin on Fri Dec 15 15:15:56 GMT 2023 , Edited by admin on Fri Dec 15 15:15:56 GMT 2023

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EPA CompTox

DTXSID40242063

Created by admin on Fri Dec 15 15:15:56 GMT 2023 , Edited by admin on Fri Dec 15 15:15:56 GMT 2023

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CAS

959997-22-9

Created by admin on Fri Dec 15 15:15:56 GMT 2023 , Edited by admin on Fri Dec 15 15:15:56 GMT 2023

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PUBCHEM

53308121

Created by admin on Fri Dec 15 15:15:56 GMT 2023 , Edited by admin on Fri Dec 15 15:15:56 GMT 2023

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