Biapenem

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Biapenem
Accession Number
DB13028
Type
Small Molecule
Groups
Investigational
Description

Biapenem has been used in trials studying the treatment of Bacterial Infections.

Structure
Thumb
Synonyms
Not Available
External IDs
CL 186,815 / CL-186815 / L-627 / LJ C10,627 / LJC-10627
Categories
UNII
YR5U3L9ZH1
CAS number
120410-24-4
Weight
Average: 350.39
Monoisotopic: 350.10487625
Chemical Formula
C15H18N4O4S
InChI Key
MRMBZHPJVKCOMA-YJFSRANCSA-N
InChI
InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1
IUPAC Name
6-{[(4R,5S,6S)-2-carboxylato-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}-5H,6H,7H-4λ⁵-pyrazolo[1,2-a][1,2,4]triazol-4-ylium
SMILES
[H][C@](C)(O)[C@@]1([H])C(=O)N2C(C([O-])=O)=C(SC3CN4C=NC=[N+]4C3)[C@]([H])(C)[C@]12[H]

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Biapenem is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Biapenem is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Biapenem is combined with 4-hydroxycoumarin.
AcenocoumarolThe risk or severity of bleeding can be increased when Biapenem is combined with Acenocoumarol.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Biapenem.
Anthrax immune globulin humanThe therapeutic efficacy of Anthrax immune globulin human can be decreased when used in combination with Biapenem.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Biapenem.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Biapenem.
Bacillus calmette-guerin substrain danish 1331 live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain danish 1331 live antigen can be decreased when used in combination with Biapenem.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Biapenem.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C11268
PubChem Compound
71339
PubChem Substance
347829162
ChemSpider
64442
ChEBI
3089
ChEMBL
CHEMBL285347
Wikipedia
Biapenem
ATC Codes
J01DH05 — Biapenem

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBacterial Infections / Healthy Volunteers2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.75 mg/mLALOGPS
logP-2ALOGPS
logP-6.1ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)3.51ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area102.37 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity120.82 m3·mol-1ChemAxon
Polarizability35.06 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Lactams
Sub Class
Beta lactams
Direct Parent
Thienamycins
Alternative Parents
Alpha amino acids and derivatives / Pyrroline carboxylic acids / Azepines / Vinylogous thioesters / Triazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Thioenol ethers / Azetidines / Carboxylic acid salts
show 12 more
Substituents
Thienamycin / Alpha-amino acid or derivatives / Pyrroline carboxylic acid / Pyrroline carboxylic acid or derivatives / Azepine / Vinylogous thioester / Azole / Heteroaromatic compound / Pyrroline / 1,2,4-triazole
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organic sulfide, carbapenems, pyrazolotriazole (CHEBI:3089)

Drug created on October 20, 2016 20:10 / Updated on November 02, 2018 07:33