CAS 401519-96-8

2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl (3α,5β,7β)-3,7-dihydroxycholan-24-oate

Description:

2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl (3α,5β,7β)-3,7-dihydroxycholan-24-oate, with CAS number 401519-96-8, is a complex organic compound characterized by its unique structural features. It contains a cholanic acid backbone, which is a steroid structure, modified with various functional groups including methoxy, nitrooxy, and hydroxyl groups. The presence of the nitrooxy group suggests potential reactivity and biological activity, possibly influencing its pharmacological properties. The compound's phenyl and propenyl substituents indicate potential for interactions with biological targets, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific arrangement of its functional groups and the overall molecular conformation. This compound may exhibit specific biological activities, potentially related to its steroidal nature, and could be investigated for therapeutic applications. However, detailed studies would be necessary to elucidate its full chemical behavior and potential uses in various fields, including pharmaceuticals and biochemistry.

Formula: C₃₈H₅₅NO₁₀

InChI: InChI=1S/C38H55NO10/c1-24(28-10-11-29-36-30(16-18-38(28,29)3)37(2)17-15-27(40)22-26(37)23-31(36)41)7-13-35(43)49-32-12-8-25(21-33(32)46-4)9-14-34(42)47-19-5-6-20-48-39(44)45/h8-9,12,14,21,24,26-31,36,40-41H,5-7,10-11,13,15-20,22-23H2,1-4H3/b14-9+/t24-,26+,27-,28-,29+,30+,31+,36+,37+,38-/m1/s1

InChI key: InChIKey=WTAVOESJEWSDJC-OBOLPPCUSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(OC5=C(OC)C=C(/C=C/C(OCCCCON(=O)=O)=O)C=C5)=O)C)[H])[H]

Synonyms:

• Cholan-24-oic acid, 3,7-dihydroxy-, 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl ester, (3α,5β,7β)-
• NCX 1000
• 2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl (3α,5β,7β)-3,7-dihydroxycholan-24-oate

NCX 1000

CAS: 401519-96-8

NCX 1000 is a guanylate cyclase activator that has been shown to be effective in the treatment of symptoms of overactive bladder. It is a soluble guanylate cyclase activator that increases the sensitivity of the receptor site, leading to increased intracellular levels of cGMP. NCX 1000 has been shown to be an effective treatment for overactive bladder and can be used in conjunction with other drugs such as gabapentin or noradrenaline. NCX 1000 also has numerous other effects including increasing reaction time and improving muscle function. The experimental model for this drug is detrusor muscle from rats treated with carbon tetrachloride or sodium channel modulators, which are known to cause bladder dysfunction.

Formula: C₃₈H₅₅NO₁₀

Purity: Min. 95%

Molecular weight: 685.8 g/mol

Ref: 3D-BRA51996

NCX 1000

CAS: 401519-96-8

NCX 1000 is a liver-specific NO donor compound,NCX 1000 derived from ursodeoxycholic acid (UDCA).

Formula: C₃₈H₅₅NO₁₀

Purity: 98%

Color and Shape: Solid

Molecular weight: 685.84

Ref: TM-T19471