7-(1-(4-FLUOROPHENYL)-3-(((4-METHYLPHENYL)METHYL)CARBAMOYL)-4-(PROPAN-2-YL)-1H-PYRAZOL-5-YL)-3,5-DIHYDROXYHEPTANOIC ACID, (3R,5R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H34FN3O5
Molecular Weight	511.5851
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-(1-(4-FLUOROPHENYL)-3-(((4-METHYLPHENYL)METHYL)CARBAMOYL)-4-(PROPAN-2-YL)-1H-PYRAZOL-5-YL)-3,5-DIHYDROXYHEPTANOIC ACID, (3R,5R)-

Structure Search

SMILES

CC(C)C1=C(CC[C@@H](O)C[C@@H](O)CC(O)=O)N(N=C1C(=O)NCC2=CC=C(C)C=C2)C3=CC=C(F)C=C3

InChI

InChIKey=LRVVTOGAGAXSRZ-DHIUTWEWSA-N

InChI=1S/C28H34FN3O5/c1-17(2)26-24(13-12-22(33)14-23(34)15-25(35)36)32(21-10-8-20(29)9-11-21)31-27(26)28(37)30-16-19-6-4-18(3)5-7-19/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36)/t22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H34FN3O5
Molecular Weight	511.5851
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.	2008 Jan 10	18072721

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:57 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:57 GMT 2023`
Record UNII	BS6A7ZAD7J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-(1-(4-FLUOROPHENYL)-3-(((4-METHYLPHENYL)METHYL)CARBAMOYL)-4-(PROPAN-2-YL)-1H-PYRAZOL-5-YL)-3,5-DIHYDROXYHEPTANOIC ACID, (3R,5R)-

Systematic Name

English

PF3052334

Code

English

1H-PYRAZOLE-5-HEPTANOIC ACID, 1-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-4-(1-METHYLETHYL)-3-((((4-METHYLPHENYL)METHYL)AMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-

Systematic Name

English

(.BETA.R,.DELTA.R)-1-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-4-(1-METHYLETHYL)-3-((((4-METHYLPHENYL)METHYL)AMINO)CARBONYL)-1H-PYRAZOLE-5-HEPTANOIC ACID

Systematic Name

English

PF-03052334

Code

English

PF-3052334

Code

English

(3R,5R)-7-(2-(4-FLUOROPHENYL)-4-ISOPROPYL-5-((4-METHYLBENZYL)CARBAMOYL)-2H-PYRAZOL-3-YL)-3,5-DIHYDROXY-HEPTANOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

887701-48-6

Created by admin on Sat Dec 16 08:19:57 GMT 2023 , Edited by admin on Sat Dec 16 08:19:57 GMT 2023

PRIMARY

FDA UNII

BS6A7ZAD7J

Created by admin on Sat Dec 16 08:19:57 GMT 2023 , Edited by admin on Sat Dec 16 08:19:57 GMT 2023

PRIMARY

PUBCHEM

11562549

Created by admin on Sat Dec 16 08:19:57 GMT 2023 , Edited by admin on Sat Dec 16 08:19:57 GMT 2023

PRIMARY

Related Record Type Details


					BS6A7ZAD7J

7-(1-(4-FLUOROPHENYL)-3-(((4-METHYLPHENYL)METHYL)CARBAMOYL)-4-(PROPAN-2-YL)-1H-PYRAZOL-5-YL)-3,5-DIHYDROXYHEPTANOIC ACID, (3R,5R)-

ACTIVE MOIETY

Comments:

PF-3052334 (Pfizer) was in early development for the treatment of patients with atherosclerosis. No information is available on its mechanism. Phase I trials had been initiated however, Pfizer discontinued the development of this drug.