Isobavachin | URAT1-XO dual inhibitor | CAS#31524-62-6

MedKoo Cat#: 128113 | Name: Isobavachin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isobavachin is an URAT1-XO dual inhibitor.

Chemical Structure

Isobavachin

CAS#31524-62-6

Theoretical Analysis

MedKoo Cat#: 128113

Name: Isobavachin

CAS#: 31524-62-6

Chemical Formula: C20H20O4

Exact Mass: 324.1362

Molecular Weight: 324.38

Elemental Analysis: C, 74.06; H, 6.22; O, 19.73

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

Isobavachin

IUPAC/Chemical Name

(S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)chroman-4-one

InChi Key

KYFBXCHUXFKMGQ-IBGZPJMESA-N

InChi Code

InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1

SMILES Code

O=C(C[C@@H](C1=CC=C(O)C=C1)O2)C3=C2C(C/C=C(C)/C)=C(O)C=C3

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 324.38 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Luo JJ, Chen XH, Liang PY, Zhao Z, Wu T, Li ZH, Wan SH, Luo J, Pang JX, Zhang JJ, Tian YX. Mechanism of anti-hyperuricemia of isobavachin based on network pharmacology and molecular docking. Comput Biol Med. 2023 Mar;155:106637. doi: 10.1016/j.compbiomed.2023.106637. Epub 2023 Feb 9. PMID: 36791549. 2: Li T, Du Y, Yao H, Zhao B, Wang Z, Chen R, Ji Y, Du M. Isobavachin attenuates osteoclastogenesis and periodontitis-induced bone loss by inhibiting cellular iron accumulation and mitochondrial biogenesis. Biochem Pharmacol. 2024 Jun;224:116202. doi: 10.1016/j.bcp.2024.116202. Epub 2024 Apr 12. PMID: 38615917. 3: Chung YC, Song SJ, Lee A, Jang CH, Kim CS, Hwang YH. Isobavachin, a main bioavailable compound in Psoralea corylifolia, alleviates lipopolysaccharide- induced inflammatory responses in macrophages and zebrafish by suppressing the MAPK and NF-κB signaling pathways. J Ethnopharmacol. 2024 Mar 1;321:117501. doi: 10.1016/j.jep.2023.117501. Epub 2023 Nov 25. PMID: 38012970. 4: Zhao Z, Luo J, Liao H, Zheng F, Chen X, Luo J, Chen Y, Zhao K, Zhang S, Tian J, Wu T, Li Y, Li L, Yang Y, Lin C, Zhang Q, Tian Y, Pang J. Pharmacological evaluation of a novel skeleton compound isobavachin (4',7-dihydroxy-8-prenylflavanone) as a hypouricemic agent: Dual actions of URAT1/GLUT9 and xanthine oxidase inhibitory activity. Bioorg Chem. 2023 Apr;133:106405. doi: 10.1016/j.bioorg.2023.106405. Epub 2023 Feb 3. PMID: 36753966. 5: Xia N, Chen QH, Meng ZJ, Ma SY, Huang JL, Shen R, Dong YT, Du HW, Zhou K. Isobavachin induces autophagy-mediated cytotoxicity in AML12 cells via AMPK and PI3K/Akt/mTOR pathways. Toxicol In Vitro. 2024 Oct;100:105919. doi: 10.1016/j.tiv.2024.105919. Epub 2024 Aug 16. PMID: 39154867. 6: Ren L, Luo H, Zhao J, Huang S, Zhang J, Shao C. An integrated in vitro/in silico approach to assess the anti-androgenic potency of isobavachin. Food Chem Toxicol. 2023 Jun;176:113764. doi: 10.1016/j.fct.2023.113764. Epub 2023 Apr 3. PMID: 37019376. 7: Xing H, Yang J, Ren K, Qin Z, Wang P, Zhang X, Yao Z, Gonzalez FJ, Yao X. Investigation on the metabolic characteristics of isobavachin in Psoralea corylifolia L. (Bu-gu-zhi) and its potential inhibition against human cytochrome P450s and UDP-glucuronosyltransferases. J Pharm Pharmacol. 2020 Dec;72(12):1865-1878. doi: 10.1111/jphp.13337. Epub 2020 Aug 4. PMID: 32750744; PMCID: PMC8861878. 8: Browne RB, Goswami N, Borah P, Roy JD. Computational approaches for evaluation of isobavachin as potential inhibitor against t877a and w741l mutations in prostate cancer. J Biomol Struct Dyn. 2023 Apr;41(6):2398-2418. doi: 10.1080/07391102.2022.2032353. Epub 2022 Feb 4. PMID: 35118933.