structure of Unii-MT32xmb69T

Unii-MT32xmb69T

CAS No.: 95815-58-0
M. Wt: 376.44300
M. Fa: C21H28O6
InChI Key: USJJKJYVBSEDNP-CNPAUTQISA-N

Names and Identifiers of Unii-MT32xmb69T

CAS Number

95815-58-0

IUPAC Name

(8R,9S,10R,11S,13S,14R,17R)-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one

InChI

InChI=1S/C21H28O6/c1-18-6-5-13(23)9-12(18)3-4-14-17(18)15(24)10-19(2)20(14,26)7-8-21(19,27)16(25)11-22/h5-6,9,14-15,17,22,24,26-27H,3-4,7-8,10-11H2,1-2H3/t14-,15+,17-,18+,19+,20-,21+/m1/s1

InChIKey

USJJKJYVBSEDNP-CNPAUTQISA-N

Canonical SMILES

CC12CC(C3C(C1(CCC2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O

Isomeric SMILES

C[C@]12C[C@@H]([C@H]3[C@H]([C@@]1(CC[C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O

UNII

MT32XMB69T

Physical and chemical properties of Unii-MT32xmb69T

Exact Mass

376.18900

LogP

0.67250

Molecular Formula

C21H28O6

Molecular Weight

376.44300

PSA

115.06000

Applications of Unii-MT32xmb69T

Unii-MT32xmb69T has several applications in medicinal chemistry and pharmacology:

  • Pharmaceutical Development: Used as a lead compound for designing new anti-inflammatory drugs.
  • Hormonal Therapies: Investigated for potential use in therapies targeting hormonal imbalances.
  • Research Tool: Employed in studies exploring steroid receptor interactions and their effects on cellular processes.

The versatility of this compound makes it valuable in both research and therapeutic contexts.

Interaction Studies of Unii-MT32xmb69T

Studies involving Unii-MT32xmb69T have focused on its interactions with various biological targets:

  • Steroid Receptors: Binding affinity studies have shown its capability to interact with glucocorticoid receptors, influencing gene expression related to inflammation and metabolism.
  • Enzyme Inhibition: Research suggests that it may inhibit enzymes involved in steroid metabolism, which can affect the bioavailability of other steroids in the system.

These interaction studies are crucial for understanding the compound's mechanism of action and therapeutic potential.

Biological Activity of Unii-MT32xmb69T

Unii-MT32xmb69T exhibits significant biological activity due to its steroidal structure. It has been studied for its potential as an anti-inflammatory agent and for its role in modulating hormonal activities. The compound's ability to bind to steroid receptors may influence various physiological processes, including:

  • Anti-inflammatory effects: By inhibiting pro-inflammatory cytokines.
  • Hormonal regulation: Acting as a modulator of steroid hormones involved in metabolism and immune responses.

Research indicates that compounds with similar structures often exhibit varying degrees of biological activity based on their specific functional groups and stereochemistry.