CAS 854601-70-0

(5α,6α)-4,5-Epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)morphinan-3,14-diol

Description:

The chemical substance known as "(5α,6α)-4,5-Epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)morphinan-3,14-diol" with the CAS number 854601-70-0 is a complex organic compound characterized by its morphinan backbone, which is a structure commonly associated with various alkaloids. This compound features an epoxy group, indicating the presence of a three-membered cyclic ether, which can influence its reactivity and biological activity. The heptaoxadocosyl chain suggests a long hydrophilic segment, likely enhancing solubility in polar solvents and potentially affecting its pharmacokinetic properties. The presence of a propenyl group may contribute to its reactivity and interactions with biological targets. Additionally, the diol functional groups indicate the presence of hydroxyl (-OH) groups, which can participate in hydrogen bonding and may play a role in the compound's biological activity. Overall, this substance's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents.

Formula: C₃₄H₅₃NO₁₁

InChI: InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1

InChI key: InChIKey=XNKCCCKFOQNXKV-ZRSCBOBOSA-N

SMILES: O[C@]12[C@@]34C=5C(O[C@]3([C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC1)[H])=C(O)C=CC5C[C@]2(N(CC=C)CC4)[H]

Synonyms:

• Naloxegol
• (5α,6α)-4,5-Epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)morphinan-3,14-diol
• Morphinan-3,14-diol, 4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)-, (5α,6α)-
• NKTR 118
• Morphinan-3,14-diol, 4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propenyl)-, (5α,6α)-

Naloxegol (NKTR-118)

CAS: 854601-70-0

Naloxegol (NKTR-118; AZ-13337019) is an opioid-receptor antagonist[1].

Formula: C₃₄H₅₃NO₁₁

Color and Shape: Solid

Molecular weight: 651.78

Ref: TM-T36374

Naloxegol

CAS: 854601-70-0

Formula: C₃₄H₅₃NO₁₁

Molecular weight: 651.79

Ref: 4Z-N-105001

Naloxegol-d7 Oxalate

CAS: 854601-70-0

Formula: C₃₄H₄₆D₇NO₁₁

Molecular weight: 658.84

Ref: 4Z-N-105003

Naloxegol

Controlled Product

CAS: 854601-70-0

Applications Naloxegol is a peripherally-selective opioid antagonist.
References Seifert, R., et al.: G Protein-Coupled Receptors as Drug Targets: Analysis of Activation and Constitutive Activity, 227 (2012)

Formula: C₃₄H₅₃NO₁₁

Color and Shape: Neat

Molecular weight: 651.785

Ref: TR-N284470

Naloxegol-13C6

Controlled Product

CAS: 854601-70-0

Formula: C₆C₂₈H₅₃NO₁₁

Color and Shape: Neat

Molecular weight: 657.741

Ref: TR-N284472

Naloxegol

CAS: 854601-70-0

Formula: C₃₄H₅₃NO₁₁

Molecular weight: 651.7847

Ref: IN-DA00G3RB