CR-3465

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H21FN3O4.Na
Molecular Weight	517.4829
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[O-]C(=O)[C@H](CC1=CC=C(OCC2=NC3=CC(F)=CC=C3C=C2)C=C1)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChIKey=KGZGMOFDZSCICN-YCBFMBTMSA-M

InChI=1S/C29H22FN3O4.Na/c30-21-10-7-20-8-11-22(31-26(20)16-21)17-37-23-12-5-18(6-13-23)15-27(29(35)36)33-28(34)25-14-9-19-3-1-2-4-24(19)32-25;/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36);/q;+1/p-1/t27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C29H21FN3O4
Molecular Weight	494.4931
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 `Sat Dec 16 18:07:33 GMT 2023` Edited by `admin` on `Sat Dec 16 18:07:33 GMT 2023`
Record UNII	5DC7F7S5N7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CR-3465

Common Name

English

CR3465

Code

English

(2S)-3-(4-((7-FLUORO-2-QUINOLYL)METHOXY)PHENYL)-2-(QUINOLINE-2-CARBONYLAMINO)PROPANOIC ACID SODIUM HYDRIDE

Systematic Name

English

L-TYROSINE, O-((7-FLUORO-2-QUINOLINYL)METHYL)-N-(2-QUINOLINYLCARBONYL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

ChEMBL

CHEMBL3545273

Created by admin on Sat Dec 16 18:07:33 GMT 2023 , Edited by admin on Sat Dec 16 18:07:33 GMT 2023

PRIMARY

PUBCHEM

71474171

Created by admin on Sat Dec 16 18:07:33 GMT 2023 , Edited by admin on Sat Dec 16 18:07:33 GMT 2023

PRIMARY

CAS

1448619-70-2

Created by admin on Sat Dec 16 18:07:33 GMT 2023 , Edited by admin on Sat Dec 16 18:07:33 GMT 2023

PRIMARY

FDA UNII

5DC7F7S5N7

Created by admin on Sat Dec 16 18:07:33 GMT 2023 , Edited by admin on Sat Dec 16 18:07:33 GMT 2023

PRIMARY

Related Record Type Details


					DP7U9CHX57

CR-3465 FREE ACID

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					DP7U9CHX57

CR-3465 FREE ACID

ACTIVE MOIETY

Comments:

Intravenous (i.v.) administration of the agent both antagonized (ED50, 9.9+/-1.9 microg/kg) and reverted LTD4 -induced bronchoconstriction of anesthetized guinea pigs. CR3465 reduced inflammatory infiltrates in the bronchoalveolar lavage fluid after antigen challenge of sensitized animals, and proved also active in inhibiting phosphodiesterase 3 (PDE3) and phosphodiesterase 4 (PDE4) activities exhibited by human platelets and neutrophils (IC50, 2.01+/-0.07 and 4.7+/-0.5 microM). In line with properties shown by phosphodiesterase inhibitors, CR3465 reduced the contractile response of guinea pig airways to histamine and decreased N-formyl-Met-Leu-Phe (fMLP)-induced degranulation of human neutrophils (IC50, 13.8 microM).Pharmacokinetic data in the rat demonstrated approximately 100% bioavailability of the agent.

Amount: