80948-49-8

Basic information

• Product Name: (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-hydrazide
• CAS NO: 80948-49-8
• Molecular Formula: C₂₄H₄₂N₂O₄
• Molecular Weight: 422.6013
• Mol File: 80948-49-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 625.4°C at 760 mmHg
• Flash Point: 332°C
• Density: 1.174g/cm³
• Vapor Pressure: 2.9E-18mmHg at 25°C
• Refractive Index: 1.562
• CAS DataBase Reference: (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-hydrazide(CAS DataBase Reference)
• NIST Chemistry Reference: (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-hydrazide(80948-49-8)
• EPA Substance Registry System: (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-hydrazide(80948-49-8)

Safety Data

• Hazardous Substances Data: 80948-49-8(Hazardous Substances Data)

Usage

General Description

(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-hydrazide is a chemical compound with a complex molecular structure. It consists of a cholane backbone with hydroxyl groups at the 3, 7, and 12 positions and a hydrazide group at the 24 position. (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-hydrazide may have potential pharmaceutical applications due to its structural features and functional groups. The presence of hydroxyl and hydrazide groups can allow for interactions with other molecules and biological systems, making it a molecule of interest for drug development and research. Additionally, understanding its properties and reactivity is important for potential therapeutic uses and biological studies. Please note that this is a hypothetical compound and the mentioned characteristics are based on its chemical structure.

Upstream product

• 15073-99-1 ethyl (3α,5β,7α,12α)-3,7,12-trihydroxycholan-24-oate 
• 81-25-4 cholic acid 
• 866037-65-2 methoxycarbonylmethyl cholate 
• 1448-36-8 methyl cholate 

Downstream Products

• 1228937-59-4 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-furan-2-ylmethylene]cholan-24-ohydrazide 
• 1228937-61-8 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-thiophen-2-ylmethylene]cholan-24-ohydrazide 
• 1228937-57-2 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-5-methoxy-1H-indole-3-ylmethylene]cholan-24-ohydrazide 
• 1228937-39-0 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-methylphenylmethylene]cholan-24-ohydrazide 
• 1228937-34-5 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-fluorophenylmethylene]cholan-24-ohydrazide 
• 1228937-35-6 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-chlorophenylmethylene]cholan-24-ohydrazide 
• 1228937-45-8 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-nitrophenylmethylene]cholan-24-ohydrazide 
• 1228937-32-3 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-phenylmethylene]cholan-24-ohydrazide 
• 1228937-41-4 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-methoxyphenylmethylene]cholan-24-ohydrazide 
• 1228937-51-6 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-2-hydroxyphenylmethylene]cholan-24-ohydrazide 
• 1228937-47-0 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-3-chlorophenylmethylene]cholan-24-ohydrazide 
• 1228937-37-8 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-bromophenylmethylene]cholan-24-ohydrazide 
• 1228937-53-8 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-2,5-dimethoxyphenylmethylene]cholan-24-ohydrazide 
• 1228937-43-6 (3α,5β,7α,12α)-3,7,12-trihydroxy-N-[(1E)-4-cyanophenylmethylene]cholan-24-ohydrazide 

Relevant articles and documents

New cholic acid analogs: Synthesis and 17β-hydroxydehydrogenase (17β-HSD) inhibition activity

The 17β-hydroxysteroid dehydrogenase (17β-HSD) enzyme family is involved in the biosynthesis of active steroids and its inhibition constitutes an interesting approach for treating estrogen-, androgen-dependent cancers and osteoporosis. In this study, a new series of cholic acid analogs was designed with the goal of improving the biological activity as 17β-HSD1 and 17β-HSD2 inhibitors. To this end, 23-cholyl amides 4-7, 3-O-p-toluenesulfonyl-23-cholyl amides 10-12, 23-cholyl-carbohydrazide 14, carbothioamide analog 15, and 23-cholyl-acylhydrazone derivatives 18-22 were synthesized from cholic acid (3) via coupling, sulfonation and substitution reactions. Basic treatment of keto group of 5 with p-bromoaniline afforded 8, meanwhile acidic treatment of 3 with thiosemicarbazide furnished the 23-cholyl-thiadiazole derivative 16. The synthesized compounds were evaluated for their inhibition activity against 17β-HSD1 and 17β-HSD2, and were found inactive at 1.0 μm concentration (inhibition 10%). However, the steroids 12, 21 and 22 showed inhibition of 21.1, 23.9 and 21.3%, respectively, against 17β-HSD2 at the same concentration. Therefore, these steroidal analogs can be further structurally modified to optimize their inhibition activity against 17β-HSD2 for the development of potential therapeutics.

Fluorescent anion sensor derived from cholic acid: The use of flexible side chain

The fluorescent photoinduced electron transfer (PET) chemosensors 1-3 were synthesized from cholic acid. 1 and 2 containing amidothiourea groups as anion receptive sites demonstrated much higher affinity toward anions than 3 containing traditional thioure