CAS 70497-14-2

(2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one

Description:

The chemical substance with the name "(2S,5S)-9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one" and CAS number "70497-14-2" is a complex organic compound characterized by its intricate molecular structure, which includes multiple chiral centers and functional groups. This compound features a pyrrolo-benzodiazonine core, which contributes to its potential biological activity. The presence of hydroxymethyl and isopropyl groups suggests possible interactions with biological systems, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the specific (S) and (R) designations, plays a crucial role in determining its reactivity and interaction with biological targets. The compound's unique structure may confer specific pharmacological properties, although detailed studies would be necessary to elucidate its mechanism of action and potential applications. Overall, this substance exemplifies the complexity often found in natural product derivatives and synthetic organic compounds.

Formula: C₂₇H₃₉N₃O₂

InChI: InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1

InChI key: InChIKey=KISDGNGREAJPQR-OICBGKIFSA-N

SMILES: [C@@](CCC=C(C)C)(C=C)(C)C1=C2C3=C(N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC3=CN2)C=C1

Synonyms:

• Lyngbyatoxin A
• 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-
• (2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
• 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-(1-ethenyl-1,5-dimethyl-4-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, [2S-[2R*,5R*,9(S*)]]-
• 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexenyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-

Lyngbyatoxin A; Teleocidin A; Teleocidin A1; FM-5597; FM-6669

CAS: 70497-14-2

Formula: C₂₇H₃₉N₃O₂

Purity: 99.48%

Color and Shape: Brown/dark orange. Oily solid

Molecular weight: 438.0

Ref: 8R-PB0004

Lyngbyatoxin A

CAS: 70497-14-2

Lyngbyatoxin A is an indole alkaloid from blue-green alga Lyngbya majuscula Gomont; responsible for dermatitis known as "swimmers' itch" in Hawaii.

Formula: C₂₇H₃₉N₃O₂

Color and Shape: Solid

Molecular weight: 437.62

Ref: TM-T33033

Lyngbyatoxin-d8

Controlled Product

CAS: 70497-14-2

Formula: C₂₇D₈H₃₁N₃O₂

Color and Shape: Neat

Molecular weight: 445.667

Ref: TR-L487862

Lyngbyatoxin

Controlled Product

CAS: 70497-14-2

Formula: C₂₇H₃₉N₃O₂

Color and Shape: Neat

Molecular weight: 437.618

Ref: TR-L487860