SAR439859
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MedKoo CAT#: 206998

CAS#: 2114339-57-8

Description: Amcenestrant, also known as SAR439859, is an orally available, nonsteroidal selective estrogen receptor degrader/downregulator (SERD), with potential antineoplastic activity. Upon oral administration, SERD SAR439859 specifically targets and binds to the estrogen receptor (ER) and induces a conformational change that promotes ER degradation. This prevents ER-mediated signaling and inhibits both the growth and survival of ER-expressing cancer cells

Chemical Structure

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SAR439859
CAS# 2114339-57-8
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 206998
Name: SAR439859
CAS#: 2114339-57-8
Chemical Formula: C31H30Cl2FNO3
Exact Mass: 553.16
Molecular Weight: 554.483
Elemental Analysis: C, 67.15; H, 5.45; Cl, 12.79; F, 3.43; N, 2.53; O, 8.66

Price and Availability

Size Price Availability Quantity
1mg USD 90 Ready to ship
5mg USD 250 Ready to ship
10mg USD 450 Ready to ship
25mg USD 750 Ready to ship
50mg USD 1350 Ready to ship
100mg USD 2150 Ready to ship
200mg USD 3850 Ready to ship
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Synonym: Amcenestrant, SAR439859; SAR-439859; SAR 439859;

IUPAC/Chemical Name: 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid

InChi Key: KISZAGQTIXIVAR-VWLOTQADSA-N

InChi Code: InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1

SMILES Code: O=C(C1=CC=C2C(CCCC(C3=CC=C(Cl)C=C3Cl)=C2C4=CC=C(O[C@@H]5CN(CCCF)CC5)C=C4)=C1)O

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: Potent ER antagonist.
In vitro activity: TBD
In vivo activity: In vivo treatment with SAR439859 demonstrated significant tumor regression in ER+ breast cancer models, including MCF7-ESR1 wild-type and mutant-Y537S mouse tumors, and HCI013, a patient-derived tamoxifen-resistant xenograft tumor. These findings indicate that SAR439859 may provide therapeutic benefit to patients with ER+ breast cancer, including those who have resistance to endocrine therapy with both wild-type and mutant ER. Reference: Shomali M, Cheng J, Sun F, Koundinya M, Guo Z, Hebert AT, McManus J, Levit MN, Hoffmann D, Courjaud A, Arrebola R, Cao H, Pollard J, Lee JS, Besret L, Caron A, Bangari DS, Abecassis PY, Schio L, El-Ahmad Y, Halley F, Tabart M, Certal V, Thompson F, McCort G, Filoche-Rommé B, Cheng H, Garcia-Echeverria C, Debussche L, Bouaboula M. SAR439859, a Novel Selective Estrogen Receptor Degrader (SERD), Demonstrates Effective and Broad Antitumor Activity in Wild-Type and Mutant ER-Positive Breast Cancer Models. Mol Cancer Ther. 2021 Feb;20(2):250-262. doi: 10.1158/1535-7163.MCT-20-0390. Epub 2020 Dec 11. PMID: 33310762.

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 180.35

Preparing Stock Solutions

The following data is based on the product molecular weight 554.48 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: TBD
In vitro protocol: TBD
In vivo protocol: Shomali M, Cheng J, Sun F, Koundinya M, Guo Z, Hebert AT, McManus J, Levit MN, Hoffmann D, Courjaud A, Arrebola R, Cao H, Pollard J, Lee JS, Besret L, Caron A, Bangari DS, Abecassis PY, Schio L, El-Ahmad Y, Halley F, Tabart M, Certal V, Thompson F, McCort G, Filoche-Rommé B, Cheng H, Garcia-Echeverria C, Debussche L, Bouaboula M. SAR439859, a Novel Selective Estrogen Receptor Degrader (SERD), Demonstrates Effective and Broad Antitumor Activity in Wild-Type and Mutant ER-Positive Breast Cancer Models. Mol Cancer Ther. 2021 Feb;20(2):250-262. doi: 10.1158/1535-7163.MCT-20-0390. Epub 2020 Dec 11. PMID: 33310762.

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1: El-Ahmad Y, Tabart M, Halley F, Certal V, Thompson F, Filoche-Rommé B, Gruss-Leleu F, Muller C, Brollo M, Fabien L, Loyau V, Bertin L, Richepin P, Pilorge F, Desmazeau P, Girardet C, Beccari S, Louboutin A, Lebourg G, Le-Roux J, Terrier C, Vallée F, Steier V, Mathieu M, Rak A, Abecassis PY, Vicat P, Benard T, Bouaboula M, Sun F, Shomali M, Hebert A, Levit M, Cheng H, Courjaud A, Ginesty C, Perrault C, Garcia-Echeverria C, McCort G, Schio L. Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8, 9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer. J Med Chem. 2019 Nov 27. doi: 10.1021/acs.jmedchem.9b01293. [Epub ahead of print] PubMed PMID: 31721572.