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Eniporide hydrochloride

CAT: 0804-HY-106150B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106150B-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Eniporide hydrochloride (EMD-96785 hydrochloride) is a potent Na+/H+ exchange inhibitor.
CAS Number
211813-86-4
Product Name Alternative
EMD-96785 hydrochloride
UNSPSC
12352005
Target
Na+/H+ Exchanger (NHE)
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Eniporide_hydrochloride.html
Purity
99.49
Solubility
DMSO : 55 mg/mL (ultrasonic) |H2O : 4.17 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CS(=O)(C1=C(N2C=CC=C2)C=C(C)C(C(NC(N)=N)=O)=C1)=O.[H]Cl
Molecular Formula
C14H17ClN4O3S
Molecular Weight
356.83
References & Citations
[1]Klass O, et al. Effect of the Na+/H+ exchange inhibitor eniporide on cardiac performance and myocardial high energy phosphates in pigs subjected to cardioplegic arrest. Ann Thorac Surg. 2004 Feb;77 (2) :658-63.|[2]Zeymer U, et al. The Na (+) /H (+) exchange inhibitor eniporide as an adjunct to early reperfusion therapy for acute myocardial infarction. Results of the evaluation of the safety and cardioprotective effects of eniporide in acute myocardial infarction (ESCAMI) trial. J Am Coll Cardiol. 2001 Nov 15;38 (6) :1644-50.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Eniporide hydrochloride
CAS Number211813-86-4
PubChem CID9950616
IUPAC NameN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzamide;hydrochloride
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity545
SMILES
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2.Cl
InChI
InChI=1S/C14H16N4O3S.ClH/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16;/h3-8H,1-2H3,(H4,15,16,17,19);1H
InChIKey
ORYLKKCAKGABAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eniporide hydrochloride
CAS: 211813-86-4
CID: 9950616
Formula: C14H17ClN4O3S
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass356.0709893
Monoisotopic Mass356.0709893
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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