PYSOCA Substrate-1

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

MedKoo CAT#: 564947

CAS#: NONE

Description: PYSOCA Substrate-1 is a BBB-permeable substrate of pyrilamine-sensitive proton-coupled organic cation antiporter (PYSOCA) which acts as a selective class I HDAC inhibitor.


Chemical Structure

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PYSOCA Substrate-1
CAS# NONE

Theoretical Analysis

MedKoo Cat#: 564947
Name: PYSOCA Substrate-1
CAS#: NONE
Chemical Formula: C24H29N5O2
Exact Mass: 419.2321
Molecular Weight: 419.53
Elemental Analysis: C, 68.71; H, 6.97; N, 16.69; O, 7.63

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: PYSOCA Substrate-1; PYSOCA Substrate 1; PYSOCA Substrate1

IUPAC/Chemical Name: N-(2-Aminophenyl)-6-((2-(dimethylamino)ethyl)(4-methoxybenzyl)amino)nicotinamide

InChi Key: XRDCTVBYPFNFSI-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H29N5O2/c1-28(2)14-15-29(17-18-8-11-20(31-3)12-9-18)23-13-10-19(16-26-23)24(30)27-22-7-5-4-6-21(22)25/h4-13,16H,14-15,17,25H2,1-3H3,(H,27,30)

SMILES Code: O=C(NC1=CC=CC=C1N)C2=CN=C(N(CCN(C)C)CC3=CC=C(OC)C=C3)C=C2

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

Preparing Stock Solutions

The following data is based on the product molecular weight 419.53 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

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1: Hiranaka S, Tega Y, Higuchi K, Kurosawa T, Deguchi Y, Arata M, Ito A, Yoshida M, Nagaoka Y, Sumiyoshi T. Design, Synthesis, and Blood-Brain Barrier Transport Study of Pyrilamine Derivatives as Histone Deacetylase Inhibitors. ACS Med Chem Lett. 2018 Aug 23;9(9):884-888. doi: 10.1021/acsmedchemlett.8b00099. eCollection 2018 Sep 13. PubMed PMID: 30258535; PubMed Central PMCID: PMC6142051.