CAS 431077-35-9

(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-[(1R)-1-(aminocarbonyl)-2-methylpropyl]carbamate

Description:

The chemical substance with the name "(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-[(1R)-1-(aminocarbonyl)-2-methylpropyl]carbamate" and CAS number "431077-35-9" is a complex organic compound characterized by its unique stereochemistry and functional groups. It features a spirocyclic structure, which contributes to its three-dimensional conformation and potential biological activity. The presence of methoxy and carbamate groups suggests that it may exhibit specific reactivity and solubility properties, making it of interest in medicinal chemistry. The oxirane (epoxide) moiety indicates potential for further chemical transformations, which could be relevant in synthetic applications. Additionally, the compound's stereochemical configuration, denoted by the R and S designations, implies that it may interact with biological systems in a stereospecific manner, potentially influencing its pharmacological effects. Overall, this compound's intricate structure and functional diversity position it as a candidate for further research in drug development and chemical synthesis.

Formula: C₂₂H₃₆N₂O₆

InChI: InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1

InChI key: InChIKey=QBDVVYNLLXGUGN-XGTBZJOHSA-N

SMILES: C[C@@]1([C@@]2([C@@]3(CO3)CC[C@@H](OC(N[C@H]([C@@H](C)C)C(N)=O)=O)[C@H]2OC)[H])[C@@H](CC=C(C)C)O1

Synonyms:

• Carbamic acid, [(1R)-1-(aminocarbonyl)-2-methylpropyl]-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
• (3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-[(1R)-1-(aminocarbonyl)-2-methylpropyl]carbamate
• PPI 2458
• Carbamic acid, N-[(1R)-1-(aminocarbonyl)-2-methylpropyl]-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester

PPI-2458

CAS: 431077-35-9

PPI-2458, a fumagillin derivative, irreversibly blocks MetAP2, hindering abnormal cell growth and angiogenesis with improved toxicity.

Formula: C₂₂H₃₆N₂O₆

Color and Shape: Solid

Molecular weight: 424.53

Ref: TM-T69258