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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22ClFN6O2.ClH
Molecular Weight 469.34
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARSACLISIB HYDROCHLORIDE

SMILES

Cl.CCOC1=C([C@@H]2CNC(=O)C2)C(F)=C(Cl)C=C1[C@H](C)N3N=C(C)C4=C3N=CN=C4N

InChI

InChIKey=TWHUONANZMKBKX-ACMTZBLWSA-N
InChI=1S/C20H22ClFN6O2.ClH/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20;/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26);1H/t10-,11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H22ClFN6O2
Molecular Weight 432.879
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:22:25 UTC 2023
Edited
by admin
on Sat Dec 16 09:22:25 UTC 2023
Record UNII
S0GJ8VM4P9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PARSACLISIB HYDROCHLORIDE
USAN  
Official Name English
INCB-050465 HYDROCHLORIDE
Common Name English
(4R)-4-{3-[(1S)-1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl}pyrrolidin-2-oneùhydrochloric acid (1:1)
Systematic Name English
PARSACLISIB HYDROCHLORIDE [USAN]
Common Name English
2-PYRROLIDINONE, 4-(3-((1S)-1-(4-AMINO-3-METHYL-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)ETHYL)-5-CHLORO-2-ETHOXY-6-FLUOROPHENYL)-, HYDROCHLORIDE (1:1), (4R)-
Systematic Name English
INCB050465 HYDROCHLORIDE
Common Name English
PARSACLISIB HYDROCHLORIDE [JAN]
Common Name English
Code System Code Type Description
USAN
FG-214
Created by admin on Sat Dec 16 09:22:25 UTC 2023 , Edited by admin on Sat Dec 16 09:22:25 UTC 2023
PRIMARY
NCI_THESAURUS
C166387
Created by admin on Sat Dec 16 09:22:25 UTC 2023 , Edited by admin on Sat Dec 16 09:22:25 UTC 2023
PRIMARY
CAS
1995889-48-9
Created by admin on Sat Dec 16 09:22:25 UTC 2023 , Edited by admin on Sat Dec 16 09:22:25 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
S0GJ8VM4P9
Created by admin on Sat Dec 16 09:22:25 UTC 2023 , Edited by admin on Sat Dec 16 09:22:25 UTC 2023
PRIMARY
PUBCHEM
122507744
Created by admin on Sat Dec 16 09:22:25 UTC 2023 , Edited by admin on Sat Dec 16 09:22:25 UTC 2023
PRIMARY
SMS_ID
100000177915
Created by admin on Sat Dec 16 09:22:25 UTC 2023 , Edited by admin on Sat Dec 16 09:22:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
TARGET -> INHIBITOR
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ACTIVE MOIETY