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MedKoo Cat#: 208210 | Name: PDE1 inhibitor 1

Description:

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

Phosphodiesterase (PDE) isoform inhibitors have mechanical and electrical effects on the heart. Inhibition of PDE-1 enzymes is a novel strategy for treating heart failure.

Chemical Structure

PDE1 inhibitor 1
PDE1 inhibitor 1
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 208210

Name: PDE1 inhibitor 1

CAS#: unknown

Chemical Formula: C31H29N5O

Exact Mass: 487.2372

Molecular Weight: 487.61

Elemental Analysis: C, 76.36; H, 5.99; N, 14.36; O, 3.28

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
PDE1inhibitor 1, PDE1-inhibitor 1, PDE1-inhibitor-1
IUPAC/Chemical Name
5-Benzyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
InChi Key
WITNHWMYHWWIIQ-FTJBHMTQSA-N
InChi Code
InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1
SMILES Code
CN(C1=N[C@H]2[C@H](CCC2)N1C3=C4N(CC5=CC=CC=C5)C(CC6=CC=C(C7=CC=CC=C7)C=C6)=N3)C4=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
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 487.61 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: Muller GK, Song J, Jani V, Wu Y, Liu T, Jeffreys WPD, O'Rourke B, Anderson ME, Kass DA. PDE1 Inhibition Modulates Cav1.2 Channel to Stimulate Cardiomyocyte Contraction. Circ Res. 2021 Oct 15;129(9):872-886. doi: 10.1161/CIRCRESAHA.121.319828. Epub 2021 Sep 15. PMID: 34521216; PMCID: PMC8553000. 2: Yugo D, Chen YC, Lin YK, Liu CM, Huang JH, Chen SA, Chen YJ. Effects of phosphodiesterase-1 inhibitor on pulmonary vein electrophysiology and arrhythmogenesis. Eur J Clin Invest. 2021 Sep;51(9):e13585. doi: 10.1111/eci.13585. Epub 2021 May 18. PMID: 34002387. 3: Enomoto T, Nakako T, Goda M, Wada E, Kitamura A, Fujii Y, Ikeda K. A novel phosphodiesterase 1 inhibitor reverses L-dopa-induced dyskinesia, but not motivation deficits, in monkeys. Pharmacol Biochem Behav. 2021 Jun;205:173183. doi: 10.1016/j.pbb.2021.173183. Epub 2021 Mar 24. PMID: 33774006. 4: Gonçalves RL, Lugnier C, Keravis T, Lopes MJ, Fantini FA, Schmitt M, Cortes SF, Lemos VS. The flavonoid dioclein is a selective inhibitor of cyclic nucleotide phosphodiesterase type 1 (PDE1) and a cGMP-dependent protein kinase (PKG) vasorelaxant in human vascular tissue. Eur J Pharmacol. 2009 Oct 12;620(1-3):78-83. doi: 10.1016/j.ejphar.2009.08.008. Epub 2009 Aug 15. PMID: 19686719. 5: Kim NJ, Baek JH, Lee J, Kim H, Song JK, Chun KH. A PDE1 inhibitor reduces adipogenesis in mice via regulation of lipolysis and adipogenic cell signaling. Exp Mol Med. 2019 Jan 11;51(1):1-15. doi: 10.1038/s12276-018-0198-7. PMID: 30635550; PMCID: PMC6329698. 6: Dey AB, Khedr S, Bean J, Porras LL, Meredith TD, Willard FS, Hass JV, Zhou X, Terashvili M, Jesudason CD, Ruley KM, Wiley MR, Kowala M, Atkinson SJ, Staruschenko A, Rekhter MD. Selective Phosphodiesterase 1 Inhibitor BTTQ Reduces Blood Pressure in Spontaneously Hypertensive and Dahl Salt Sensitive Rats: Role of Peripheral Vasodilation. Front Physiol. 2020 Sep 8;11:543727. doi: 10.3389/fphys.2020.543727. PMID: 33013477; PMCID: PMC7506137. 7: Shimizu K, Murata T, Tagawa T, Takahashi K, Ishikawa R, Abe Y, Hosaka K, Kubohara Y. Calmodulin-dependent cyclic nucleotide phosphodiesterase (PDE1) is a pharmacological target of differentiation-inducing factor-1, an antitumor agent isolated from Dictyostelium. Cancer Res. 2004 Apr 1;64(7):2568-71. doi: 10.1158/0008-5472.can-03-3551. PMID: 15059913. 8: Sharma RK, Das SB, Lakshmikuttyamma A, Selvakumar P, Shrivastav A. Regulation of calmodulin-stimulated cyclic nucleotide phosphodiesterase (PDE1): review. Int J Mol Med. 2006 Jul;18(1):95-105. PMID: 16786160. 9: Amin SA, Bhargava S, Adhikari N, Gayen S, Jha T. Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques. J Biomol Struct Dyn. 2018 Feb;36(3):590-608. doi: 10.1080/07391102.2017.1288659. Epub 2017 Feb 13. PMID: 28132591. 10: Enomoto T, Tatara A, Goda M, Nishizato Y, Nishigori K, Kitamura A, Kamada M, Taga S, Hashimoto T, Ikeda K, Fujii Y. A Novel Phosphodiesterase 1 Inhibitor DSR-141562 Exhibits Efficacies in Animal Models for Positive, Negative, and Cognitive Symptoms Associated with Schizophrenia. J Pharmacol Exp Ther. 2019 Dec;371(3):692-702. doi: 10.1124/jpet.119.260869. Epub 2019 Oct 2. PMID: 31578257.