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SC-57461A

CAT: 0013-GTR19173028-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173028-06Size:50 mg
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Description
SC-57461A
CAS Number
423169-68-0
Product Name Alternative
SC57461A, SC-57461A, SC 57461A, Aminopeptidase, orally active, inhibit, LTA4H, LTA4 hydrolase, Leukotriene A4, Inhibitor
Field of Research
Metabolism Research
Purity
99.14% (May vary between batches)
Solubility
DMSO:55 mg/mL (151.14 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.5 mM)
Smiles
Cl.CN (CCCOc1ccc (Cc2ccccc2) cc1) CCC (O) =O
Molecular Formula
C20H26ClNO3
Molecular Weight
363.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC 57461

a leukotriene A4 hydrolase inhibitor; structure given in first source

CAS Number423169-68-0
PubChem CID9820433
IUPAC Name3-[3-(4-benzylphenoxy)propyl-methylamino]propanoic acid;hydrochloride
Molecular FormulaC20H26ClNO3
Molecular Weight363.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity347
SMILES
CN(CCCOC1=CC=C(C=C1)CC2=CC=CC=C2)CCC(=O)O.Cl
InChI
InChI=1S/C20H25NO3.ClH/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17;/h2-4,6-11H,5,12-16H2,1H3,(H,22,23);1H
InChIKey
SBBJJLDNKNNWFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SC 57461
CAS: 423169-68-0
CID: 9820433
Formula: C20H26ClNO3
MW: 363.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass363.1601214
Monoisotopic Mass363.1601214
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity347
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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