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MedKoo Cat#: 130230 | Name: Physachenolide C

Description:

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

Physachenolide C is a selective inhibitor of the extra-terminal domain (BET) with potential as an anticancer agent.

Chemical Structure

Physachenolide C
Physachenolide C
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130230

Name: Physachenolide C

CAS#: N/A

Chemical Formula: C30H40O9

Exact Mass: 544.2672

Molecular Weight: 544.64

Elemental Analysis: C, 66.16; H, 7.40; O, 26.44

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.
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Related CAS #
No Data
Synonym
Physachenolide C; PCC
IUPAC/Chemical Name
((4aS,5aR,6bR,9S,9aR,11bR)-9-((1S)-1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-6b,9-dihydroxy-11b-methyl-1-oxo-1,5a,6,6a,6b,7,8,9,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9a(4H)-yl)methyl acetate
InChi Key
GKMMNQCWGZRQTN-ATDBHRARSA-N
InChi Code
InChI=1S/C30H40O9/c1-16-13-22(38-24(33)17(16)2)26(5,34)30(36)12-11-28(35)20-14-23-29(39-23)9-6-7-21(32)25(29,4)19(20)8-10-27(28,30)15-37-18(3)31/h6-7,19-20,22-23,34-36H,8-15H2,1-5H3/t19?,20?,22?,23-,25+,26+,27-,28-,29-,30-/m1/s1
SMILES Code
CC(OC[C@@]1(CC2)[C@](O)([C@@](O)(C3CC(C)=C(C)C(O3)=O)C)CC[C@@]1(O)C(C2[C@@]45C)C[C@@]6([H])O[C@]65CC=CC4=O)=O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 544.64 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.

Recalculate based on batch purity %
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. Zerio CJ, Sivinski J, Wijeratne EMK, Xu YM, Ngo DT, Ambrose AJ, Villa-Celis L, Ghadirian N, Clarkson MW, Zhang DD, Horton NC, Gunatilaka AAL, Fromme R, Chapman E. Physachenolide C is a Potent, Selective BET Inhibitor. J Med Chem. 2023 Jan 12;66(1):913-933. doi: 10.1021/acs.jmedchem.2c01770. Epub 2022 Dec 28. PMID: 36577036. 2. Kithsiri Wijeratne EM, Xu YM, Liu MX, Inacio MC, Brooks AD, Tewary P, Sayers TJ, Gunatilaka AAL. Ring A/B-Modified 17β-Hydroxywithanolide Analogues as Antiproliferative Agents for Prostate Cancer and Potentiators of Immunotherapy for Renal Carcinoma and Melanoma. J Nat Prod. 2021 Dec 24;84(12):3029-3038. doi: 10.1021/acs.jnatprod.1c00724. Epub 2021 Dec 1. PMID: 34851111. 3. Tewary P, Brooks AD, Xu YM, Wijeratne EMK, Babyak AL, Back TC, Chari R, Evans CN, Henrich CJ, Meyer TJ, Edmondson EF, de Aquino MTP, Kanagasabai T, Shanker A, Gunatilaka AAL, Sayers TJ. Small-Molecule Natural Product Physachenolide C Potentiates Immunotherapy Efficacy by Targeting BET Proteins. Cancer Res. 2021 Jun 15;81(12):3374-3386. doi: 10.1158/0008-5472.CAN-20-2634. Epub 2021 Apr 9. PMID: 33837043; PMCID: PMC8802328. 4. Anees M, Nayak S, Afarinkia K, Vinader V. Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C. RSC Adv. 2018 Nov 27;8(69):39691-39695. doi: 10.1039/c8ra08540d. PMID: 35558026; PMCID: PMC9091292. 5. Xu YM, Liu MX, Grunow N, Wijeratne EM, Paine-Murrieta G, Felder S, Kris RM, Gunatilaka AA. Discovery of Potent 17β-Hydroxywithanolides for Castration-Resistant Prostate Cancer by High-Throughput Screening of a Natural Products Library for Androgen-Induced Gene Expression Inhibitors. J Med Chem. 2015 Sep 10;58(17):6984-93. doi: 10.1021/acs.jmedchem.5b00867. Epub 2015 Aug 31. PMID: 26305181.

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