CAS 80998-07-8

Benzoic acid, 2-(methylamino)-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

Description:

The chemical substance known as Benzoic acid, 2-(methylamino)-, with the CAS number 80998-07-8, is a complex organic compound characterized by its intricate molecular structure. It features a benzoic acid moiety, which contributes to its acidity and potential for forming salts and esters. The presence of a methylamino group indicates that it may exhibit basic properties, allowing it to participate in various chemical reactions, including nucleophilic substitutions. The compound also contains multiple stereocenters, suggesting that it can exist in different stereoisomeric forms, which may influence its biological activity and interactions. Additionally, the presence of hydroxyl groups and an acetyloxy group enhances its potential for hydrogen bonding, affecting its solubility and reactivity. This compound may be of interest in medicinal chemistry due to its structural complexity and potential pharmacological properties, although specific biological activities would require further investigation. Overall, its unique combination of functional groups and stereochemistry makes it a noteworthy subject for research in organic and medicinal chemistry.

Formula: C₃₀H₃₇NO₈

InChI: InChI=1S/C30H37NO8/c1-15-11-22-28(36,24(15)34)13-18(14-32)12-20-23-27(4,5)30(23,39-17(3)33)25(16(2)29(20,22)37)38-26(35)19-9-7-8-10-21(19)31-6/h7-12,16,20,22-23,25,31-32,36-37H,13-14H2,1-6H3/t16-,20+,22-,23-,25-,28-,29-,30-/m1/s1

InChI key: InChIKey=UPAIGGMQTARRMN-CSSCWBSHSA-N

SMILES: O(C(C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(=O)C4=C(NC)C=CC=C4)[C@]5([C@](O)(CC(CO)=C3)C(=O)C(C)=C5)[H])[H])[H]

Synonyms:

• (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-(methylamino)benzoate
• 12-O-(N-Methylanthranilate) phorbol-13-acetate
• 1H-Cyclopropa[3,4]benz[1,2-e]azulene, benzoic acid deriv.
• Benzoic acid, 2-(methylamino)-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
• Benzoic acid, 2-(methylamino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-
• Benzoic acid, 2-(methylamino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
• Ccris 7233
• Sapintoxin D

Sapintoxin D

CAS: 80998-07-8

Sapintoxin D is a cytotoxic agent that has been shown to inhibit the growth of prostate cancer cells. It is a basic protein with a molecular weight of approximately 10kDa, and it binds to the regulatory domain of epidermal growth factor (EGF) and epidermal growth factor (EGF-R). This binding results in an inhibition of EGF-induced cell proliferation. The mechanism by which sapintoxin D exerts its cytotoxic effect on prostate cancer cells is synergistic interaction with phorbol ester. Sapintoxin D acts as an agonist for the receptor tyrosine kinase, leading to phosphorylation of its downstream signaling molecules, such as cd-1 mice, which activates ferroptosis. Ferroptosis is a form of regulated necrosis that occurs by the accumulation of reactive oxygen species (ROS) and iron ions in the cells. This process leads to oxidative stress and necrotic cell death.

Formula: C₃₀H₃₇NO₈

Purity: Min. 95%

Molecular weight: 539.6 g/mol

Ref: 3D-FDA99807

Sapintoxin D

CAS: 80998-07-8

Sapintoxin D is a fluorescent phorbol ester and selective activator of protein kinase C.

Formula: C₃₀H₃₇NO₈

Color and Shape: Solid

Molecular weight: 539.62

Ref: TM-T68654