PALINAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H52N6O5
Molecular Weight	708.8888
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)C1=CC=C2C=CC=CC2=N1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN4CC[C@H](C[C@H]4C(=O)NC(C)(C)C)OCC5=CC=NC=C5

InChI

InChIKey=RXBWRFDZXRAEJT-SZNOJMITSA-N

InChI=1S/C41H52N6O5/c1-27(2)37(45-38(49)33-16-15-30-13-9-10-14-32(30)43-33)40(51)44-34(23-28-11-7-6-8-12-28)36(48)25-47-22-19-31(52-26-29-17-20-42-21-18-29)24-35(47)39(50)46-41(3,4)5/h6-18,20-21,27,31,34-37,48H,19,22-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H52N6O5
Molecular Weight	708.8888
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9145853 | https://www.ncbi.nlm.nih.gov/pubmed/9607960

Palinavir (formerly BILA2011BS) is a potent inhibitor of the human immunodeficiency virus type 1 (HIV-1) and type 2 (HIV-2) proteases and was studied for the treatment of HIV infections. However, information about the current development of this drug is not available.

Originator

Approval Year

PubMed

Title	Date	PubMed
Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere.	1997 Jul 4	9216835

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:09:32 UTC 2023` Edited by `admin` on `Sat Dec 16 17:09:32 UTC 2023`
Record UNII	632S1WU9Z2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PALINAVIR

Official Name

English

BILA-2011-BS

Code

English

PALINAVIR [USAN]

Common Name

English

palinavir [INN]

Common Name

English

BILA 2011 BS

Code

English

N-[(1S)-1-[[(1S,2R)-1-Benzyl-3-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)piperidino]-2-hydroxypropyl]carbamoyl]-2-methylpropyl]quinaldamide

Common Name

English

2-QUINOLINECARBOXAMIDE, N-(1-(((3-(2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-4-(4-PYRIDINYLMETHOXY)-1-PIPERIDINYL)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)AMINO)CARBONYL)-2-METHYLPROPYL)-(2S-(1(1R*(R*),2S*),2.ALPHA.,4.ALPHA.))-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C97366