SR-144190

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H38F2N4O3
Molecular Weight	576.6766
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(F)=C(F)C=C4)CC1)C5=CC=CC=C5

InChI

InChIKey=QNLIUVLFRVYNCV-XIFFEERXSA-N

InChI=1S/C33H38F2N4O3/c1-37(2)31(41)36-32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25/h3-14,23H,15-22,24H2,1-2H3,(H,36,41)/t33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H38F2N4O3
Molecular Weight	576.6766
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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:24 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:24 GMT 2023`
Record UNII	Y2646FAP82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SR-144190

Code

English

1-(1-(2-((2R)-4-BENZOYL-2-(3,4-DIFLUOROPHENYL)MORPHOLIN-2-YL)ETHYL)-4-PHENYLPIPERIDIN-4-YL)-3,3-DIMETHYLUREA

Systematic Name

English

MORPHOLINE, 4-BENZOYL-2-(3,4-DIFLUOROPHENYL)-2-(2-(4-(((DIMETHYLAMINO)CARBONYL)AMINO)-4-PHENYL-1-PIPERIDINYL)ETHYL)-, (R)-

Systematic Name

English

UREA, N'-(1-(2-((2R)-4-BENZOYL-2-(3,4-DIFLUOROPHENYL)-2-MORPHOLINYL)ETHYL)-4-PHENYL-4-PIPERIDINYL)-N,N-DIMETHYL-

Systematic Name

English

SR144190

Code

English

3-(1-(2-((2R)-4-BENZOYL-2-(3,4-DIFLUOROPHENYL)MORPHOLIN-2-YL)ETHYL)-4-PHENYL-4-PIPERIDYL)-1,1-DIMETHYL-UREA

Systematic Name

English

Code System Code Type Description

PUBCHEM

9916195

Created by admin on Sat Dec 16 09:42:24 GMT 2023 , Edited by admin on Sat Dec 16 09:42:24 GMT 2023

PRIMARY

CAS

201152-86-5

Created by admin on Sat Dec 16 09:42:24 GMT 2023 , Edited by admin on Sat Dec 16 09:42:24 GMT 2023

PRIMARY

FDA UNII

Y2646FAP82

Created by admin on Sat Dec 16 09:42:24 GMT 2023 , Edited by admin on Sat Dec 16 09:42:24 GMT 2023

PRIMARY

EPA CompTox

DTXSID3047340

Created by admin on Sat Dec 16 09:42:24 GMT 2023 , Edited by admin on Sat Dec 16 09:42:24 GMT 2023

PRIMARY

Related Record Type Details


					9K6Z7W9CH3

SR-144190 HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					Y2646FAP82

SR-144190

ACTIVE MOIETY

Comments:

SR 144190 potently and selectively inhibited neurokinin A binding to NK2 receptors from various species, including humans. In in vitro functional assays, it was a potent, selective and competitive antagonist of NK2 receptors with apparent affinities (pA2 values) between 9.08 and 10.10. In vivo, SR 144190 blocked [Nle10]neurokinin A-(4-10)-induced bronchoconstriction in guinea pigs (ID50 = 21 micrograms kg-1 i.v. and 250 micrograms kg-1 i.d.) and [beta Ala8]neurokinin A-(4-10)-induced urinary bladder contraction in rats (ID50 = 11 micrograms kg-1 i.v. and 190 micrograms kg-1 i.d.).