ZB716

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

MedKoo CAT#: 565567

CAS#: 1853279-29-4

Description: ZB716, also known as fulvestrant-3-boronic acid, is a synthetic, steroidal, orally activeantiestrogen which is under development for the treatment of estrogen receptor (ER)-positive metastatic breast cancer. The drug is a silent antagonist of the ERα (IC50 = 4.1 nM) as well as a selective estrogen receptor degrader (SERD). It is an analogue of fulvestrant in which the C3 hydroxyl group has been replaced with a boronic acidmoiety. In accordance, the two drugs have similar pharmacodynamic properties. However, whereas fulvestrant is not orally active and must be administered via intramuscular injection, ZB716 is less susceptible to first-pass metabolism, and in relation to this, is orally active.

Chemical Structure

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ZB716
CAS# 1853279-29-4
Instruction

Theoretical Analysis

MedKoo Cat#: 565567
Name: ZB716
CAS#: 1853279-29-4
Chemical Formula: C32H48BF5O4S
Exact Mass: 634.33
Molecular Weight: 634.594
Elemental Analysis: C, 60.57; H, 7.62; B, 1.70; F, 14.97; O, 10.08; S, 5.05

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: ZB716; ZB 716; ZB-716

IUPAC/Chemical Name: ((7R,8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)boronic acid

InChi Key: FIAYIYKWRBIBQG-GDWZZRAASA-N

InChi Code: InChI=1S/C32H48BF5O4S/c1-30-17-15-26-25-12-11-24(33(40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-43(42)19-9-16-31(34,35)32(36,37)38/h11-12,21-22,26-29,39-41H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,43?/m1/s1

SMILES Code: O=S(CCCCCCCCC[C@@H]1CC2=CC(B(O)O)=CC=C2[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]13[H])CCCC(F)(F)C(F)(F)F

Appearance: Solid powder

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: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 634.59 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Guo S, Zhang C, Bratton M, Mottamal M, Liu J, Ma P, Zheng S, Zhong Q, Yang L, Wiese TE, Wu Y, Ellis MJ, Matossian M, Burow ME, Miele L, Houtman R, Wang G. ZB716, a steroidal selective estrogen receptor degrader (SERD), is orally efficacious in blocking tumor growth in mouse xenograft models. Oncotarget. 2018 Jan 8;9(6):6924-6937. doi: 10.18632/oncotarget.24023. eCollection 2018 Jan 23. PubMed PMID: 29467940; PubMed Central PMCID: PMC5805526.

2: Zhang C, Guo S, Yang L, Liu J, Zheng S, Zhong Q, Zhang Q, Wang G. Metabolism, pharmacokinetics, and bioavailability of ZB716, a Steroidal Selective Estrogen Receptor Downregulator (SERD). Oncotarget. 2017 Oct 10;8(61):103874-103889. doi: 10.18632/oncotarget.21808. eCollection 2017 Nov 28. PubMed PMID: 29262607; PubMed Central PMCID: PMC5732773.

3: Liu J, Zheng S, Akerstrom VL, Yuan C, Ma Y, Zhong Q, Zhang C, Zhang Q, Guo S, Ma P, Skripnikova EV, Bratton MR, Pannuti A, Miele L, Wiese TE, Wang G. Fulvestrant-3 Boronic Acid (ZB716): An Orally Bioavailable Selective Estrogen Receptor Downregulator (SERD). J Med Chem. 2016 Sep 8;59(17):8134-40. doi: 10.1021/acs.jmedchem.6b00753. Epub 2016 Aug 29. PubMed PMID: 27529700; PubMed Central PMCID: PMC5499704.