CT-1812

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NCATS

Investigational

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H33NO4S
Molecular Weight	431.588
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CT-1812

Structure Search

SMILES

CC(C)(C)OC1=CC(CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(C)(=O)=O)=CC=C1O

InChI

InChIKey=ISQAPFMBJFZOLG-UHFFFAOYSA-N

InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C24H33NO4S
Molecular Weight	431.588
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:02:10 GMT 2025` Edited by `admin` on `Tue Apr 01 17:02:10 GMT 2025`
Record UNII	0661V34NTV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CT-1812

Code

English

2-(TERT-BUTOXY)-4-(3-METHYL-3-(5-(METHYLSULFONYL)ISOINDOLIN-2-YL)BUTYL)PHENOL

Preferred Name

English

2-TERT-BUTOXY-4-(3-(5-METHANESULFONYL-1-1,3-DIHYDRO-ISOINDOL-1-YL)-3-METHYL-BUTYL)-PHENOL

Systematic Name

English

Code System Code Type Description

SMS_ID

300000004621

Created by admin on Tue Apr 01 17:02:10 GMT 2025 , Edited by admin on Tue Apr 01 17:02:10 GMT 2025

PRIMARY

FDA UNII

0661V34NTV

Created by admin on Tue Apr 01 17:02:10 GMT 2025 , Edited by admin on Tue Apr 01 17:02:10 GMT 2025

PRIMARY

CAS

1802632-22-9

Created by admin on Tue Apr 01 17:02:10 GMT 2025 , Edited by admin on Tue Apr 01 17:02:10 GMT 2025

PRIMARY

CAS

2243184-39-4

Created by admin on Tue Apr 01 17:02:10 GMT 2025 , Edited by admin on Tue Apr 01 17:02:10 GMT 2025

NO STRUCTURE GIVEN

PUBCHEM

118278088

Created by admin on Tue Apr 01 17:02:10 GMT 2025 , Edited by admin on Tue Apr 01 17:02:10 GMT 2025

PRIMARY

Related Record Type Details


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CT-1812 FUMARATE

SALT/SOLVATE -> PARENT

Amount:


					ZB99BB7ERQ

SIGMA INTRACELLULAR RECEPTOR 2

TARGET -> INHIBITOR

Comments:

Block binding of a range of different A? species to this receptor but also displace it when applied after A? has bound

Interaction Type:

ALLOSTERIC

Amount: