JTT-553

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H27F3N4O3
Molecular Weight	488.5021
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC2=C(N=C1C3=CC=C4C(CC[C@@]45CC[C@H](CC(O)=O)CC5)=C3)C(N)=NC(=N2)C(F)(F)F

InChI

InChIKey=YFJNLPDVCDNOMJ-OJPDTXNBSA-N

InChI=1S/C25H27F3N4O3/c1-23(2)19(30-18-20(29)31-22(25(26,27)28)32-21(18)35-23)15-3-4-16-14(12-15)7-10-24(16)8-5-13(6-9-24)11-17(33)34/h3-4,12-13H,5-11H2,1-2H3,(H,33,34)(H2,29,31,32)/t13-,24-

HIDE SMILES / InChI

Molecular Formula	C25H27F3N4O3
Molecular Weight	488.5021
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:40:40 GMT 2023` Edited by `admin` on `Sat Dec 16 00:40:40 GMT 2023`
Record UNII	G3MY6FGE1J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

JTT-553

Code

English

(TRANS-5-(4-AMINO-7,7-DIMETHYL-2-TRIFLUOROMETHYL-7H-PYRIMIDO(4,5-B)(1,4)OXAZIN-6-YL)-2,3- DIHYDROSPIRO(CYCLOHEXANE-1,1-INDEN)-4-YL)ACETIC ACID

Systematic Name

English

SPIRO(CYCLOHEXANE-1,1'-(1H)INDENE)-4-ACETIC ACID, 5'-(4-AMINO-7,7-DIMETHYL-2-(TRIFLUOROMETHYL)-7H-PYRIMIDO(4,5-B)(1,4)OXAZIN-6-YL)-2',3'-DIHYDRO-, TRANS-

Systematic Name

English

Code System Code Type Description

CAS

701232-94-2

Created by admin on Sat Dec 16 00:40:40 GMT 2023 , Edited by admin on Sat Dec 16 00:40:40 GMT 2023

PRIMARY

CAS

1235579-99-3

Created by admin on Sat Dec 16 00:40:40 GMT 2023 , Edited by admin on Sat Dec 16 00:40:40 GMT 2023

NO STRUCTURE GIVEN

FDA UNII

G3MY6FGE1J

Created by admin on Sat Dec 16 00:40:40 GMT 2023 , Edited by admin on Sat Dec 16 00:40:40 GMT 2023

PRIMARY

Related Record Type Details


					G3MY6FGE1J

JTT-553

ACTIVE MOIETY

Comments:

Originator: Japan Tobacco; Mechanism of Action: Diacylglycerol O acyltransferase inhibitor; Orphan Drug Status: No; On Fast track: No; Highest Development Phase: Discontinued for Obesity; Most Recent Events: 30 Jun 2008 Discontinued - Phase-I for Obesity (PO), 09 Aug 2007 Phase-I clinical trials in Obesity (PO)


					G3MY6FGE1J

JTT-553

ACTIVE MOIETY

Comments:

Inhibitory Effects of JTT-553 on Human DGAT1, Human DGAT2 and Human ACAT1: hDGAT1 IC50(nM) = 2.38+/-0.14, hDGAT2 IC50(nM) = >10000, hACAT1 IC50(nM) = >10000. Inhibitory Effects of JTT-553 on Activity of Human, Rat and Mouse Small Intestinal DGAT: Human IC50(nM)= 1.55+/-0.02, Rat IC50(nM)= 1.50+/-0.07, Mouse IC50(nM)= 0.59+/-0.06.