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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27N7OS
Molecular Weight 461.582
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BI-2493

SMILES

C[C@H]1CNCCN1C2=NC=CC(=N2)C3=NOC4=C3CCC[C@@]45CCCC6=C5C(C#N)=C(N)S6

InChI

InChIKey=PVOYBVVIBNPTPJ-BSEYFRJRSA-N
InChI=1S/C24H27N7OS/c1-14-13-27-10-11-31(14)23-28-9-6-17(29-23)20-15-4-2-7-24(21(15)32-30-20)8-3-5-18-19(24)16(12-25)22(26)33-18/h6,9,14,27H,2-5,7-8,10-11,13,26H2,1H3/t14-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27N7OS
Molecular Weight 461.582
Charge 0
Count
Stereochemistry EPIMERIC
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 20:13:20 UTC 2023
Edited
by admin
on Sat Dec 16 20:13:20 UTC 2023
Record UNII
8XX44ZCU8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BI-2493
Code English
Spiro[1,2-benzisoxazole-7(4H),4′(5′H)-benzo[b]thiophene]-3′-carbonitrile, 2′-amino-5,6,6′,7′-tetrahydro-3-[2-[(2S)-2-methyl-1-piperazinyl]-4-pyrimidinyl]-, (4′S)-
Systematic Name English
Code System Code Type Description
CAS
2937344-16-4
Created by admin on Sat Dec 16 20:13:20 UTC 2023 , Edited by admin on Sat Dec 16 20:13:20 UTC 2023
PRIMARY
FDA UNII
8XX44ZCU8N
Created by admin on Sat Dec 16 20:13:20 UTC 2023 , Edited by admin on Sat Dec 16 20:13:20 UTC 2023
PRIMARY
PUBCHEM
168268198
Created by admin on Sat Dec 16 20:13:20 UTC 2023 , Edited by admin on Sat Dec 16 20:13:20 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Preferentially targets the inactive state of KRAS to prevent its reactivation by nucleotide exchange.
TARGET -> INHIBITOR
Preferentially targets the inactive state of KRAS to prevent its reactivation by nucleotide exchange.
TARGET -> INHIBITOR
Preferentially targets the inactive state of KRAS to prevent its reactivation by nucleotide exchange.
Related Record Type Details
ACTIVE MOIETY