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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20N4O6S
Molecular Weight 348.375
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RELEBACTAM ANHYDROUS

SMILES

OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC3CCNCC3)C1=O

InChI

InChIKey=SMOBCLHAZXOKDQ-ZJUUUORDSA-N
InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H20N4O6S
Molecular Weight 348.375
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Relebactum sodium (MK-7655) is a piperidine analog 3 that inhibits class A and C β-lactamases (in vitro). It is being investigated for use in treatment of infectious diseases, such as treatment of gram-negative bacterial infections. Its potential as an alternative to existing medicines in the treatment of drug-resistant bacterial infections is being studied. Clinical trials have been conducted and are still ongoing to evaluate the efficacy and safety of relebactum sodium in treatment of intra-abdominal infections, urinary tract infections (such as pyelonephritis), hospital-acquired and ventilator-associated bacterial pneumonias, and gram-negative bacterial infections.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
210.0 nM [IC50]
410.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Mon Oct 21 22:33:07 UTC 2019
Edited
by admin
on Mon Oct 21 22:33:07 UTC 2019
Record UNII
1OQF7TT3PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RELEBACTAM ANHYDROUS
Common Name English
RELEBACTAM [WHO-DD]
Common Name English
RELEBACTAM [INN]
Common Name English
MK-7655
Code English
(-)-RELEBACTAM ANHYDROUS
Common Name English
SULFURIC ACID MONO-((2S,5R)-7-OXO-2-(PIPERIDIN-4-YLCARBAMOYL)-1,6-DIAZA-BICYCLO(3.2.1)OCT-6-YL) ESTER
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C258
Created by admin on Mon Oct 21 22:33:07 UTC 2019 , Edited by admin on Mon Oct 21 22:33:07 UTC 2019
Code System Code Type Description
INN
10027
Created by admin on Mon Oct 21 22:33:07 UTC 2019 , Edited by admin on Mon Oct 21 22:33:07 UTC 2019
PRIMARY
EVMPD
SUB184909
Created by admin on Mon Oct 21 22:33:07 UTC 2019 , Edited by admin on Mon Oct 21 22:33:07 UTC 2019
PRIMARY
NCI_THESAURUS
C152175
Created by admin on Mon Oct 21 22:33:07 UTC 2019 , Edited by admin on Mon Oct 21 22:33:07 UTC 2019
PRIMARY
PUBCHEM
44129647
Created by admin on Mon Oct 21 22:33:07 UTC 2019 , Edited by admin on Mon Oct 21 22:33:07 UTC 2019
PRIMARY
CAS
1174018-99-5
Created by admin on Mon Oct 21 22:33:07 UTC 2019 , Edited by admin on Mon Oct 21 22:33:07 UTC 2019
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY