(3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid | CAS No. 459789-99-2

(3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid

Basic Information

CAS Number

459789-99-2

Molecular Formula

C26H44O4

Molecular Weight

420.63 g/mol

AD

Basic Physical Properties

Boiling Point

562.9°C at 760 mmHg

CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1

InChIKey

ZXERDUOLZKYMJM-ZWECCWDJSA-N

LogP

5.114000000000006

Topological Polar Surface Area

77.76 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 6-Ethylchenodeoxycholic acid
  • 6alpha-Ethyl-chenodeoxycholic acid
  • 6-Ecdca
  • 6-Ethyl-cdca
  • C15636
  • 6-Ethylchenodeoxycholic acid(Obeticholic Acid)
  • Obeticholic Acid
  • (3α,5β,6α,7α)-6-ethyl-3,7-dihydroxy-cholan-24-oic acid
  • (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • Obeticholic acid 6-ECDCA
  • INT-747
  • 1osv
  • CHC
  • INT747
  • UNII-0462Z4S4OZ
  • Obecholic acid
  • Obeticholic acid

MDL Number

MFCD16621104

FAQ

What is (3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid (CAS: 459789-99-2)?

This compound, with the CAS number 459789-99-2, is a bile acid derivative characterized by specific stereochemistry at positions 3, 5, 6, 7, and 8. It contains hydroxyl groups at the 3 and 7 positions, an ethyl group at the 6 position, and a carboxylic acid group at the 24 position. It is known for its structural similarity to natural bile acids and is often used in research for its potential biological activities.

What are the main uses of (3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid (CAS: 459789-99-2)?

This compound is primarily used in pharmaceutical research for studying its potential therapeutic properties. It may also find applications in biochemical studies related to lipid metabolism and bile acid signaling. Due to its unique structure, it is of interest in drug development and as a model compound for understanding bile acid derivatives.

Is (3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid (CAS: 459789-99-2) safe?

Safety data for this compound is limited, but as a chemical compound, it should be handled with appropriate care. It is recommended to follow standard laboratory safety protocols, including the use of personal protective equipment. Long-term toxicity and environmental impact studies are not widely available, so caution is advised during handling and disposal.

How should (3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid (CAS: 459789-99-2) be stored?

This compound should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture. Avoid exposure to light and ensure it is stored in a well-ventilated area to prevent degradation and ensure safety.

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