CA-074
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CA-074
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CAS No:
134448-10-5
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Formula:
C18H29N3O6
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Chemical Name:
CA-074
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Synonyms:
INHIBITOR FOR CATHEPSIN B;CATHEPSIN B INHIBITOR III;CA-074;[L-3-TRANS-(PROPYLCARBAMOYL)OXIRANE-2-CARBONYL]-L-ISOLEUCYL-L-PROLINE;(L-3-TRANS-(PROPYLCARBAMYL)OXIRANE-2-CARBONYL)-L-ISOLEUCYL-L-PROLINE;[L-3-TRANS-(PROPYLCARBOMOYL)OXIRANE-2-CARBONYL]-L-ISOLEUCYL-L-PROLINE;L-TRANS-EPOXYSUCCINYL-ILE-PRO-OH PROPYLAMIDE;L-TRANS-EPOXYSUCCINYL (PROPYLAMIDE)-ILE-PRO-OH
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CAS No:
Characteristics
128.34000
0.60620
solid
1.267±0.06 g/cm3(Predicted)
728.9±60.0 °C(Predicted)
394.7ºC
1.539
Soluble in methanol at 1mg/ml. Also soluble in DMSO or ethanol.
−20°C
0mmHg at 25°C
Drug Information
Exogenous and endogenous compounds which inhibit CYSTEINE ENDOPEPTIDASES. (See all compounds classified as Cysteine Proteinase Inhibitors.)|Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids. (See all compounds classified as Neuroprotective Agents.)
1-((S)-3-methyl-2-(((2S,3S)-3-propylcarbamoyl-oxiranecarbonyl)-amino)-pentanoyl)-pyrrolidine-2-carboxylic acid
Computed Properties
Molecular Weight:383.4
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:383.20563565
Monoisotopic Mass:383.20563565
Topological Polar Surface Area:128
Heavy Atom Count:27
Complexity:596
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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