Cas no 2276-93-9 (Isoallolithocholic acid)
Isoallolithocholic acid is a bile acid derivative with a unique stereochemical configuration, distinguished by the orientation of its hydroxyl groups at the C-3 and C-7 positions. This structural modification enhances its metabolic stability and receptor-binding specificity compared to lithocholic acid. It serves as a valuable intermediate in the synthesis of steroidal compounds and has applications in studying bile acid metabolism and signaling pathways, particularly those involving the farnesoid X receptor (FXR) and TGR5. Its well-defined chemical properties make it suitable for research in hepatobiliary function, cholesterol homeostasis, and potential therapeutic development. High-purity grades ensure reproducibility in experimental studies.
Isoallolithocholic acid structure
Product Name:Isoallolithocholic acid
Isoallolithocholic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-, (3b,5a)-Cholan-24-oic acid
- Steraloids
- (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- 5A-CHOLANIC ACID-3?-OL-D2
- 3b-hydroxy-5a-cholan-24-oic acid
- 3b-Hydroxy-5a-cholanate
- 3b-Hydroxy-5a-cholanoate
- AC1L3RS5
- AC1Q5VF7
- Alloisolithocholic acid
- Isoallolithocholate
- Isoallolithocholic acid
- iso-lithocholic acid
- Isolithocholic acid
- lithocholic acid
- SureCN8512110
- 2276-93-9
- 3b-Hydroxy-5a-cholanic acid
- 3-beta-Hydroxy-5-alpha-cholanic acid
- 3?-hydroxy-5?-cholanic acid
- DTXSID801309974
- 3beta-Hydroxy-5alpha-cholan-24-oic Acid
- Cholan-24-oic acid, (3.beta.,5.alpha.)-
- NS00125347
- Q63399713
- CS-0109743
- G61814
- Cholan-24-oic acid,3-hydroxy-, (3b,5a)-
- AKOS040755311
- 3b-hydroxy-5a-Cholan-24-oate
- CHEBI:166734
- (3beta,5alpha)-3-Hydroxycholan-24-oic Acid ; 3beta-Hydroxy-5alpha-cholanic Acid ; 3beta-Hydroxy-5alpha-cholanoic Acid; NSC 18169 ; (R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic Acid
- SCHEMBL8512110
- NSC18169
- NSC 18169
- Cholan-24-oic acid, 3-hydroxy-, (3beta,5alpha)-
- DA-64516
- MS-26121
- (R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- NSC-18169
- 3.beta.-Hydroxy-5.alpha.-cholanic acid
- 3b-Hydroxy-5a-cholanoic acid
- LMST04010006
- HY-B0172A
- 3beta-Hydroxy-5alpha-cholansaure
- 3beta-Hydroxy-5alpha-cholanic acid
-
- Inchi： InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1
- InChI Key： SMEROWZSTRWXGI-XBESLWPFSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@]([H])(C1)CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@@]([H])([C@H](C)CCC(=O)O)CC[C@]21[H]
Computed Properties
- Exact Mass: 376.2979
- Monoisotopic Mass: 376.29774513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 574
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
- LogP: 5.50710
Isoallolithocholic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I267450-10mg |
Isoallolithocholic Acid |
2276-93-9 | 10mg |
$ 152.00 | 2023-09-07 | ||
| TRC | I267450-50mg |
Isoallolithocholic Acid |
2276-93-9 | 50mg |
$ 613.00 | 2023-09-07 | ||
| TRC | I267450-100mg |
Isoallolithocholic Acid |
2276-93-9 | 100mg |
$ 1173.00 | 2023-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S10175-5mg |
Isoallolithocholic Acid |
2276-93-9 | 5mg |
￥2998.0 | 2021-09-08 | ||
| eNovation Chemicals LLC | Y1245687-10mg |
Cholan-24-oic acid,3-hydroxy-, (3b,5a)- |
2276-93-9 | 98% D | 10mg |
$1165 | 2023-09-04 | |
| MedChemExpress | HY-B0172A-10mM*1mLinDMSO |
Isoallolithocholic acid |
2276-93-9 | ≥98.0% | 10mM*1mLinDMSO |
￥2640 | 2023-07-26 | |
| MedChemExpress | HY-B0172A-5mg |
Isoallolithocholic acid |
2276-93-9 | ≥98.0% | 5mg |
￥2400 | 2024-07-21 | |
| MedChemExpress | HY-B0172A-10mg |
Isoallolithocholic acid |
2276-93-9 | ≥98.0% | 10mg |
￥3800 | 2024-07-21 | |
| MedChemExpress | HY-B0172A-25mg |
Isoallolithocholic acid |
2276-93-9 | ≥98.0% | 25mg |
￥7600 | 2024-07-21 | |
| MedChemExpress | HY-B0172A-50mg |
Isoallolithocholic acid |
2276-93-9 | ≥98.0% | 50mg |
￥12200 | 2023-08-31 |
Isoallolithocholic acid Related Literature
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxy bile acids, alcohols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Hydroxy bile acids, alcohols and derivatives
2276-93-9 (Isoallolithocholic acid) Related Products
- 640-90-4((3alpha,5beta,12alpha,16alpha)-3,12,16-Trihydroxycholan-24-oic acid)
- 434-13-9(Lithocholic acid)
- 1534-35-6((3b,5b)-3-Hydroxycholan-24-oic acid)
- 2276-94-0(Allolithocholic acid)
- 96648-30-5(Cholan-24-oic acid,3-hydroxy-7-methyl-, (3a,5b)-)
- 19042-00-3(Hyo-desoxycholsaeure)
- 15076-13-8(Hyo-desoxycholsaeure)
- 15086-87-0(Hyo-desoxycholsaeure)
- 15238-52-5(24-Norcholan-23-oicacid, 3-hydroxy-, (3b,5a)- (9CI))
- 83701-16-0(Lithocholic acid-d)
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