YM-758

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H32FN3O4
Molecular Weight	469.5484
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of YM-758

Structure Search

SMILES

COC1=CC2=C(CN(CC2)C(=O)[C@@H]3CCCN(CCNC(=O)C4=CC=C(F)C=C4)C3)C=C1OC

InChI

InChIKey=MWLKUSHZNSYRKK-HXUWFJFHSA-N

InChI=1S/C26H32FN3O4/c1-33-23-14-19-9-12-30(17-21(19)15-24(23)34-2)26(32)20-4-3-11-29(16-20)13-10-28-25(31)18-5-7-22(27)8-6-18/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3,(H,28,31)/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H32FN3O4
Molecular Weight	469.5484
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:31:53 UTC 2023` Edited by `admin` on `Sat Dec 16 11:31:53 UTC 2023`
Record UNII	CUE40R3FTQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YM-758

Common Name

English

YM758

Code

English

(-)-N-(2-((R)-3-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL)PIPERIDINO)ETHYL)-4-FLUOROBENZAMIDE

Systematic Name

English

(R)-(-)-N-(2-(3-((6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)CARBONYL)PIPERIDINO)ETHYL)-4-FLUOROBENZAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

CUE40R3FTQ

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

EPA CompTox

DTXSID401040110

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

SMS_ID

300000041478

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

CAS

312752-85-5

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

PUBCHEM

9894205

Created by admin on Sat Dec 16 11:31:53 UTC 2023 , Edited by admin on Sat Dec 16 11:31:53 UTC 2023

PRIMARY

Related Record Type Details


					64S4O9325D

YM-758 MONOPHOSPHATE

SALT/SOLVATE -> PARENT

Related Record Type Details

6DD1839D93

P-FLUOROHIPPURIC ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					QP2P43T3DM

(5R)-5-((3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)CARBONYL)-2-PIPERIDINONE

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					75QJQ8ZT8J

(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)(3R)-3-PIPERIDINYLMETHANONE

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					75QJQ8ZT8J

(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)(3R)-3-PIPERIDINYLMETHANONE

METABOLITE -> PARENT

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					QP2P43T3DM

(5R)-5-((3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)CARBONYL)-2-PIPERIDINONE

METABOLITE -> PARENT

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:

Related Record Type Details


					CUE40R3FTQ

YM-758

ACTIVE MOIETY

Comments:

In addition, the inhibitory effect of cimetidine and quinidine on (14C)YM758 uptake into human hepatocytes was also investigated. As shown in Fig. 8, B and C, quinidine inhibited (14C)YM758 uptake into human hepatocytes with IC50 value of 147 .MU.M, whereas this uptake was not inhibited in the presence of 10,000 .MU.M cimetidine.


					CUE40R3FTQ

YM-758

ACTIVE MOIETY

Comments:

Originator: Astellas Pharma; Developer: Cardeus Pharmaceuticals; Class: Antiarrhythmic, Ischaemic heart disorder therapy; Mechanism of Action: Cyclic nucleotide-gated cation channel antagonist, Potassium channel antagonist; Highest Development Phases: Discontinued for Angina pectoris, Atrial fibrillation; Most Recent Events: 31 Mar 2011 Phase-II clinical trials in Atrial fibrillation in USA (PO), 31 Mar 2011 Phase-II clinical trials in Angina pectoris in Europe (PO), 27 Dec 2007 Discontinued - Phase-II for Atrial fibrillation in USA (PO)