ABT-546 HCl

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

MedKoo CAT#: 466165

CAS#: 223756-43-2 (HCl)

Description: ABT-546 HCl is a highly selective antagonist for endothelin ETA receptor.


Chemical Structure

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ABT-546 HCl
CAS# 223756-43-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 466165
Name: ABT-546 HCl
CAS#: 223756-43-2 (HCl)
Chemical Formula: C30H49ClN2O6
Exact Mass: 568.33
Molecular Weight: 569.180
Elemental Analysis: C, 63.31; H, 8.68; Cl, 6.23; N, 4.92; O, 16.87

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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Related CAS #: 212481-66-8 (free base)   223756-43-2 (HCl)   378744-69-5 (tosylate)   212481-67-9 (TFA)   322471-12-5 (2R3R4S)​   195707-49-4 (2R3S4R)   2243501-44-0 (2R3S4R)    

Synonym: ABT-546 HCl; ABT546 HCl; ABT 546 HCl; ABT-546 Hydrochloride; ABT546 Hydrochloride; ABT 546 Hydrochloride; A-216546; A216546; A 216546;

IUPAC/Chemical Name: (2S,3R,4S)-1-(2-(dibutylamino)-2-oxoethyl)-2-(2,2-dimethylpentyl)-4-(7-methoxybenzo[d][1,3]dioxol-5-yl)pyrrolidine-3-carboxylic acid hydrochloride

InChi Key: KMKKFZCVBRAWNX-KQQHTNMISA-N

InChi Code: InChI=1S/C30H48N2O6.ClH/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3;/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35);1H/t22-,23+,27-;/m1./s1

SMILES Code: O=C([C@H]1[C@H](CC(C)(CCC)C)N(CC(N(CCCC)CCCC)=O)C[C@@H]1C2=CC(OC)=C(OCO3)C3=C2)O.[H]Cl

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: 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 569.18 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: Thaete LG, Khan S, Neerhof MG. Endothelin Receptor A Antagonism Prevents Damage to Glycogen-Rich Placental Cells Following Uterine Ischemia-Reperfusion in the Rat. Reprod Sci. 2016 Nov;23(11):1518-1525. doi: 10.1177/1933719116645190. Epub 2016 Apr 28. PMID: 27130231; PMCID: PMC5933107.

2: Luo K, Thaete LG, Neerhof MG. Endothelin Receptor A Antagonism and Fetal Growth in Endothelial Nitric Oxide Synthase Gene Knockout Maternal and Fetal Mice. Reprod Sci. 2016 Aug;23(8):1028-36. doi: 10.1177/1933719115625839. Epub 2016 Jan 19. PMID: 26791973; PMCID: PMC5933101.

3: Thaete LG, Khan S, Synowiec S, Dayton BD, Bauch J, Neerhof MG. Endothelin receptor antagonist has limited access to the fetal compartment during chronic maternal administration late in pregnancy. Life Sci. 2012 Oct 15;91(13-14):583-6. doi: 10.1016/j.lfs.2012.02.018. Epub 2012 Mar 3. PMID: 22406077.

4: Neerhof MG, Synowiec S, Khan S, Thaete LG. Impact of endothelin A receptor antagonist selectivity in chronic nitric oxide synthase inhibition-induced fetal growth restriction in the rat. Hypertens Pregnancy. 2010;29(3):284-93. doi: 10.3109/10641950902777739. PMID: 20504166; PMCID: PMC3589146.

5: Barnes DM, Ji J, Fickes MG, Fitzgerald MA, King SA, Morton HE, Plagge FA, Preskill M, Wagaw SH, Wittenberger SJ, Zhang J. Development of a catalytic enantioselective conjugate addition of 1,3-dicarbonyl compounds to nitroalkenes for the synthesis of endothelin-A antagonist ABT-546. Scope, mechanism, and further application to the synthesis of the antidepressant rolipram. J Am Chem Soc. 2002 Nov 6;124(44):13097-105. doi: 10.1021/ja026788y. PMID: 12405837.

6: Wessale JL, Adler AL, Novosad EI, Calzadilla SV, Dayton BD, Marsh KC, Winn M, Jae HS, von Geldern TW, Opgenorth TJ, Wu-Wong JR. Pharmacology of endothelin receptor antagonists ABT-627, ABT-546, A-182086 and A-192621: ex vivo and in vivo studies. Clin Sci (Lond). 2002 Aug;103 Suppl 48:112S-117S. doi: 10.1042/CS103S112S. PMID: 12193067.

7: Wu-Wong JR, Dixon DB, Chiou WJ, Sorensen BK, Liu G, Jae HS, Tasker A, von Geldern TW, Winn M, Opgenorth TJ. Pharmacology of endothelin receptor antagonists ABT-627, ABT-546, A-182086 and A-192621: in vitro studies. Clin Sci (Lond). 2002 Aug;103 Suppl 48:107S-111S. doi: 10.1042/CS103S107S. PMID: 12193066.

8: Barnes DM. Development of an asymmetric Michael addition in a practical synthesis of ABT-546. Curr Opin Drug Discov Devel. 2000 Nov;3(6):818-24. PMID: 19649909.