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CA-074

CA-074 structure

CA-074 

structure
  • CAS No:

    134448-10-5

  • Formula:

    C18H29N3O6

  • Chemical Name:

    CA-074

  • 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

Description

CA-074 is a potent inhibitor of cathepsin B with a Ki of 2 to 5 nM.

CA-074 Basic Attributes

383.44

383.20600

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

Safety Information

NONH for all modes of transport

3

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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