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Epoxomicin (BU-4061T)

CAT: 1568-C12397-1mgSize: 1 mgDry Ice: YesHazardous: No
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CAT#:1568-C12397-1mgSize:1 mg
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CAS Number
134381-21-8
Synonyms
Aids010837
Target
Proteasome
Applications
Proteases
Smiles
CCC (C) C (C (=O) NC (C (C) O) C (=O) NC (CC (C) C) C (=O) C1 (CO1) C) NC (=O) C (C (C) CC) N (C) C (=O) C
Molecular Formula
C28H50N4O7
Additionnal Information
Epoxomicin (BU-4061T, Aids010837) is a selective proteasome inhibitor with anti-inflammatory activity, inhibits primarily the CH-L activity of the 20S proteasome, while T-L and PGPH catalytic activities are also inhibited at 100- and 1000-fold reduced rate. Epoxomicin promotes apoptosis.Epoxomicin (BU-4061T) can be used to induce animal models of Parkinson's Disease.
Storage Conditions
2 years -80 in solvent

Chemical Information

Epoxomicin

Epoxomicin is a tripeptide consisting of an Ile-Ile-Thr-NH2 sequence N-substituted on the threonamide amidic nitrogen with a (2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl group and with acetyl and methyl groups on the nitrogen of the isoleucine residue distal to the threonamide; a naturally occurring selective proteasome inhibitor with anti-inflammatory activity. It has a role as a proteasome inhibitor. It is a member of morpholines and a tripeptide.

CAS Number134381-21-8
PubChem CID11226684
IUPAC Name(2S,3S)-2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide
Molecular FormulaC28H50N4O7
Molecular Weight554.7
XLogP2.3
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity895
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(CO1)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C
InChI
InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)/t16-,17-,18+,20-,21-,22-,23-,28+/m0/s1
InChIKey
DOGIDQKFVLKMLQ-JTHVHQAWSA-N
Chemical Structure
2D Structure
2D structure of Epoxomicin
CAS: 134381-21-8
CID: 11226684
Formula: C28H50N4O7
MW: 554.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.7
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass554.36794995
Monoisotopic Mass554.36794995
Topological Polar Surface Area157 Ų
Heavy Atom Count39
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S7038-5mgEpoxomicin (BU-4061T)
MBS130701-01Epoxomicin(BU-4061T)
169961-01Epoxomicin (BU-4061T, N-acetyl-N-methyl-L-isoleucyl-L-isoleucyl-N-[ (1S) -3-methyl-1[[ (2R) -2-methyloxiranyl]carbonyl]butyl]-L-threoninamide) discontinued
A2606-20Epoxomicin

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