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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H11ClN4OS.CH4O3S
Molecular Weight 402.876
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-142721 MESYLATE

SMILES

CS(O)(=O)=O.C[C@H](SC1=NC(N)=CC(Cl)=N1)C2=NC=C3OC=CC3=C2

InChI

InChIKey=DACCRIAOWPHTII-FJXQXJEOSA-N
InChI=1S/C13H11ClN4OS.CH4O3S/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9;1-5(2,3)4/h2-7H,1H3,(H2,15,17,18);1H3,(H,2,3,4)/t7-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H11ClN4OS
Molecular Weight 306.771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
(-)-6-Chloro-2-[(1-furo[2, 3-c]pyridin-5-ylethyl)thio]-4-pyrimidinamine, PNU-142721, a new broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitor.
1998 Apr 23
Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
2002 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:47:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:47:48 UTC 2023
Record UNII
7QH6XJ3PLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-142721 MESYLATE
Code English
4-PYRIMIDINAMINE, 6-CHLORO-2-(((1S)-1-FURO(2,3-C)PYRIDIN-5-YLETHYL)THIO)-, METHANESULFONATE (1:1)
Systematic Name English
4-AMINO-6-CHLORO-2-(1-FURO(2,3C)PYRIDIN-5-YL)ETHYLTHIO-PYRIMIDENE MESYLATE, (-)-(S)
Common Name English
PNU-142721E
Code English
Code System Code Type Description
FDA UNII
7QH6XJ3PLD
Created by admin on Fri Dec 15 15:47:48 UTC 2023 , Edited by admin on Fri Dec 15 15:47:48 UTC 2023
PRIMARY
PUBCHEM
131842441
Created by admin on Fri Dec 15 15:47:48 UTC 2023 , Edited by admin on Fri Dec 15 15:47:48 UTC 2023
PRIMARY
CAS
185220-05-7
Created by admin on Fri Dec 15 15:47:48 UTC 2023 , Edited by admin on Fri Dec 15 15:47:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE