MedKoo Cat#: 555381 | Name: TD-0212

Description:

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

TD-0212 is a potent, selective and orally active, dual AT1 antagonist/NEP inhibitor (ARNI) with At1 pKi-8.9 and NEP pIC50 = 9.2. TD-0212 produced blood pressure reductions similar to omapatrilat and combinations of AT1 receptor antagonists and NEP inhibitors. TD-0212 therefore provides the enhanced activity of dual AT1/NEP inhibition with a potentially lower risk of angioedema relative to dual ACE/NEP inhibition

Chemical Structure

TD-0212
TD-0212
CAS#1073549-10-6 (S-isomer)

Theoretical Analysis

MedKoo Cat#: 555381

Name: TD-0212

CAS#: 1073549-10-6 (S-isomer)

Chemical Formula: C28H34FN3O4S

Exact Mass: 527.2254

Molecular Weight: 527.66

Elemental Analysis: C, 63.74; H, 6.50; F, 3.60; N, 7.96; O, 12.13; S, 6.08

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 #
1073549-10-6 (S-isomer) 1073549-16-2 (R-isomer) 1073549-11-7 (TFA) 1073549-13-9 (HCl) 1374429-10-3 (oxalate)
Synonym
TD-0212; TD 0212; TD0212;
IUPAC/Chemical Name
(S)-4'-((2-ethoxy-4-ethyl-5-((2-mercapto-4-methylpentanamido)methyl)-1H-imidazol-1-yl)methyl)-3'-fluoro-[1,1'-biphenyl]-2-carboxylic acid
InChi Key
BSJZYWSFNCKCDR-VWLOTQADSA-N
InChi Code
InChI=1S/C28H34FN3O4S/c1-5-23-24(15-30-26(33)25(37)13-17(3)4)32(28(31-23)36-6-2)16-19-12-11-18(14-22(19)29)20-9-7-8-10-21(20)27(34)35/h7-12,14,17,25,37H,5-6,13,15-16H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
SMILES Code
FC1=C(CN2C(CNC([C@H](CC(C)C)S)=O)=C(CC)N=C2OCC)C=CC(C3=CC=CC=C3C(O)=O)=C1
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
2934.99.03.00
More Info
Dual inhibition of angiotensin-converting enzyme (ACE) and neprilysin (NEP) by drugs such as omapatrilat produces superior antihypertensive efficacy relative to ACE inhibitors but is associated with a higher risk of life-threatening angioedema due to bradykinin elevations.

Preparing Stock Solutions

The following data is based on the product molecular weight 527.66 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
Discovery of TD-0212, an Orally Active Dual Pharmacology AT1 Antagonist and Neprilysin Inhibitor (ARNI) R. Murray McKinnell, Paul Fatheree, Seok-Ki Choi, Roland Gendron, Keith Jendza, Brooke Olson Blair, Joe Budman, Craig M. Hill, Laxminarayan G. Hegde, Cecile Yu, Donavon McConn, Sharath S. Hegde, Daniel G. Marquess, and Uwe Klein Publication Date (Web): December 3, 2018 (Letter) DOI: 10.1021/acsmedchemlett.8b00462