Isoallolithocholic acid - ≥98% , CAS No.2276-93-9

CAS: 2276-93-9 Cat. No.: I648734 Molecular Weight: 376.57 PubChem CID: 94228

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Isoallolithocholic acid (3β-Hydroxy-5α-cholanic acid), a derivative of Lithocholic acid , is a T cell regulator. Isoallolithocholic acid enhances regulatory T cells (Tregs) differentiation.

In Vitro

Isoallolithocholic acid (3β-Hydroxy-5α-cholanic acid) (20 μM) reduces Th17 cell differentiation by ~50% without affecting RORγt expression. Isoallolithocholic acid does not affect T cell differentiation into Th1 or Th2 cells, the modulatory effect of Isoallolithocholic acid on Tregs is cell-type specific. Isoallolithocholic acid-dependent enhanced expression of FoxP3 requires mitoROS. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Isoallolithocholic acid (0.03%; in diet; 7 days) enhances Treg cells in B6 mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Segmented filamentous bacteria (SFB)-colonized Jax-B6 mice Dosage: 0.03% (w/w) Administration: In diet, 7 days Result: Was insufficient to enhance Treg percentages both at steady state and following anti-CD3 treatment alone. Significantly enhanced the Treg population in mice treated with anti-CD3 compared to control diet in combination with 0.3% (w/w) 3-oxolithocholic acid (3-oxoLCA). Reduced the number of CD45.1 + T effector cells.

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Isoallolithocholic acid (3β-Hydroxy-5α-cholanic acid), a derivative of Lithocholic acid ( HY-10219 ), is a T cell regulator. Isoallolithocholic acid enhances regulatory T cells (Tregs) differentiation.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
• PubChem CID: 94228
• Molecular Weight: 376.57

Chemical and Physical Properties

• Solubility: DMSO : 83.33 mg/mL (221.29 mM; ultrasonic and warming and heat to 60°C) H2O : <0.1 mg/mL (ultrasonic;warming;adjust pH to 12 with NaOH;heat to 60°C) (insoluble)
• Molecular Weight: 376.600 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 376.298 Da
• Monoisotopic Mass: 376.298 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 574.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1