INN-312 | CAS#unknown | Hemoglobin S allosteric modulator

MedKoo Cat#: 463468 | Name: INN-312

Description:

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

INN-312 is a hemoglobin S allosteric modulator. It is a pyridyl derivative of vanillin.

Chemical Structure

INN-312

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463468

Name: INN-312

CAS#: unknown

Chemical Formula: C14H13NO3

Exact Mass: 243.0895

Molecular Weight: 243.26

Elemental Analysis: C, 69.12; H, 5.39; N, 5.76; O, 19.73

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

INN-312; INN312; INN 312;

IUPAC/Chemical Name

5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde

InChi Key

GXQNKVDAAINMNE-UHFFFAOYSA-N

InChi Code

InChI=1S/C14H13NO3/c1-17-13-4-5-14(12(7-13)9-16)18-10-11-3-2-6-15-8-11/h2-9H,10H2,1H3

SMILES Code

COC1=CC(C=O)=C(OCC2=CN=CC=C2)C=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

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 243.26 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.

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: Pagare PP, Ghatge MS, Musayev FN, Deshpande TM, Chen Q, Braxton C, Kim S, Venitz J, Zhang Y, Abdulmalik O, Safo MK. Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease. Bioorg Med Chem. 2018 May 15;26(9):2530-2538. doi: 10.1016/j.bmc.2018.04.015. Epub 2018 Apr 6. PMID: 29655608; PMCID: PMC5935541. 2: Abdulmalik O, Ghatge MS, Musayev FN, Parikh A, Chen Q, Yang J, Nnamani I, Danso-Danquah R, Eseonu DN, Asakura T, Abraham DJ, Venitz J, Safo MK. Crystallographic analysis of human hemoglobin elucidates the structural basis of the potent and dual antisickling activity of pyridyl derivatives of vanillin. Acta Crystallogr D Biol Crystallogr. 2011 Nov;67(Pt 11):920-8. doi: 10.1107/S0907444911036353. Epub 2011 Oct 19. Erratum in: Acta Crystallogr D Biol Crystallogr. 2011 Dec;67(Pt 12):1076. PMID: 22101818; PMCID: PMC3211971.