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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28ClN5O3S
Molecular Weight 478.007
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMP-579

SMILES

CCNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)N2C=CC3=C(N[C@H](CC)CC4=C(Cl)C=CS4)N=CN=C23

InChI

InChIKey=CKQOOYMMAAPDKH-QODLLSGVSA-N
InChI=1S/C22H28ClN5O3S/c1-3-12(9-17-15(23)6-8-32-17)27-20-13-5-7-28(21(13)26-11-25-20)16-10-14(18(29)19(16)30)22(31)24-4-2/h5-8,11-12,14,16,18-19,29-30H,3-4,9-10H2,1-2H3,(H,24,31)(H,25,26,27)/t12-,14+,16-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28ClN5O3S
Molecular Weight 478.007
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:54 GMT 2023
Record UNII
3NM730M24E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMP-579
Common Name English
CYCLOPENTANECARBOXAMIDE, 4-(4-(((1R)-1-((3-CHLORO-2-THIENYL)METHYL)PROPYL)AMINO)-7H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)-N-ETHYL-2,3-DIHYDROXY-, (1S,2R,3S,4R)-
Systematic Name English
Code System Code Type Description
CAS
213453-89-5
Created by admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
PRIMARY
FDA UNII
3NM730M24E
Created by admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545163
Created by admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
PRIMARY
PUBCHEM
72941762
Created by admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID601026029
Created by admin on Sat Dec 16 08:33:54 GMT 2023 , Edited by admin on Sat Dec 16 08:33:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY